1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane

C124H155Cl2N37O5S6 — CID 157317292

IUPAC1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane
SMILESCC(C)N1CC2C[C@H]1CN2c1ccn(-c2cccc(N[C@@H](C)c3ccccc3)c2)n1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCOc1nc(NCc2ccco2)nc(-n2ccc(C)n2)n1.CC[C@H](C)CC(=O)c1c(Cl)cccc1C(=O)Nc1nc(C)cc(-n2nc(-c3ccc(Cl)cc3)cc2C)n1.C[C@H]1C[C@@H](C(=O)Cc2ccccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(-n3nc(C4CC4)cc3N)n2)C1.S.S.S.S.S.S
InChIInChI=1S/C28H27Cl2N5O2.C27H31N11O.C25H31N5.2C15H19N5.C14H16N6O2.6H2S/c1-5-16(2)13-24(36)26-21(7-6-8-22(26)30)27(37)33-28-31-17(3)14-25(32-28)35-18(4)15-23(34-35)19-9-11-20(29)12-10-19;1-15-10-21(22(39)11-18-4-2-3-9-29-18)37(14-15)26-31-25(30-24-13-19(34-35-24)16-5-6-16)32-27(33-26)38-23(28)12-20(36-38)17-7-8-17;1-18(2)28-16-24-15-23(28)17-29(24)25-12-13-30(27-25)22-11-7-10-21(14-22)26-19(3)20-8-5-4-6-9-20;2*1-2-16-14-7-8-15(18-17-14)20-13(11-5-6-11)9-12(19-20)10-3-4-10;1-3-21-14-17-12(15-9-11-5-4-8-22-11)16-13(18-14)20-7-6-10(2)19-20;;;;;;/h6-12,14-16H,5,13H2,1-4H3,(H,31,32,33,37);2-4,9,12-13,15-17,21H,5-8,10-11,14,28H2,1H3,(H2,30,31,32,33,34,35);4-14,18-19,23-24,26H,15-17H2,1-3H3;2*7-11H,2-6H2,1H3,(H,16,17);4-8H,3,9H2,1-2H3,(H,15,16,17,18);6*1H2/t16-;15-,21-;19-,23-,24?;;;;;;;;;/m000........./s1
InChIKeyBDTHDVRKMPFFJC-ZDKFXOBOSA-N
MW2507.17 g/mol
LogP23.47
Rot. Bonds39

About 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane

1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane (PubChem CID 157317292) has the molecular formula C124H155Cl2N37O5S6 and a molecular weight of 2507.17 g/mol. Its IUPAC name is 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane.

Molecular Properties

Compound Name1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane
PubChem CID157317292
Molecular FormulaC124H155Cl2N37O5S6
Molecular Weight2507.17 g/mol
Exact Mass2504.07
IUPAC Name1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane
SMILESCC(C)N1CC2C[C@H]1CN2c1ccn(-c2cccc(N[C@@H](C)c3ccccc3)c2)n1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCOc1nc(NCc2ccco2)nc(-n2ccc(C)n2)n1.CC[C@H](C)CC(=O)c1c(Cl)cccc1C(=O)Nc1nc(C)cc(-n2nc(-c3ccc(Cl)cc3)cc2C)n1.C[C@H]1C[C@@H](C(=O)Cc2ccccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(-n3nc(C4CC4)cc3N)n2)C1.S.S.S.S.S.S
InChIInChI=1S/C28H27Cl2N5O2.C27H31N11O.C25H31N5.2C15H19N5.C14H16N6O2.6H2S/c1-5-16(2)13-24(36)26-21(7-6-8-22(26)30)27(37)33-28-31-17(3)14-25(32-28)35-18(4)15-23(34-35)19-9-11-20(29)12-10-19;1-15-10-21(22(39)11-18-4-2-3-9-29-18)37(14-15)26-31-25(30-24-13-19(34-35-24)16-5-6-16)32-27(33-26)38-23(28)12-20(36-38)17-7-8-17;1-18(2)28-16-24-15-23(28)17-29(24)25-12-13-30(27-25)22-11-7-10-21(14-22)26-19(3)20-8-5-4-6-9-20;2*1-2-16-14-7-8-15(18-17-14)20-13(11-5-6-11)9-12(19-20)10-3-4-10;1-3-21-14-17-12(15-9-11-5-4-8-22-11)16-13(18-14)20-7-6-10(2)19-20;;;;;;/h6-12,14-16H,5,13H2,1-4H3,(H,31,32,33,37);2-4,9,12-13,15-17,21H,5-8,10-11,14,28H2,1H3,(H2,30,31,32,33,34,35);4-14,18-19,23-24,26H,15-17H2,1-3H3;2*7-11H,2-6H2,1H3,(H,16,17);4-8H,3,9H2,1-2H3,(H,15,16,17,18);6*1H2/t16-;15-,21-;19-,23-,24?;;;;;;;;;/m000........./s1
InChIKeyBDTHDVRKMPFFJC-ZDKFXOBOSA-N
XLogP23.47
TPSA484.67 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds39
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.17
LogP ≤ 523.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[4-[3-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;4-chloro-2-[1-(6-methyl-3-pyridinyl)pyrazol-3-yl]phenol;4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-pyrimidin-5-yl-2,3-dihydropyridine-5-carboxamide;N-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-pyridinyl]-3-pyrimidin-5-ylcyclohexa-1,5-diene-1-carboxamide;N-[(1S)-1-phenylethyl]-3-[3-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrazol-1-yl]aniline;sulfane
CID 157894533
2-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-1,3-oxazole-5-carboxamide;1-[4-[4-acetyl-5-(2-chlorophenyl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one;2-(2-chlorophenyl)-N-(2-methoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[5-[3-(dimethylamino)piperidin-1-yl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
CID 157156784
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine
CID 157961728
1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-[(dimethylamino)methyl]phenyl]pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-ethoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[4-(2-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]propan-2-one;4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-1-[2-(cyclopropanecarbonylamino)-5-methyl-4-pyridinyl]pyrrole-3-carboxamide;N-[5-methyl-4-[3-(2-methylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide
CID 161166465
5-chloro-3-[5-fluoro-4-[4-(furan-2-yl)piperazin-1-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-cyclopropyl-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-4-amine;N-[(1S,3R)-3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;3-[4-(furan-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 161937300

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane?
The IUPAC name of 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane (CID 157317292) is 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane.
What is the SMILES notation for 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane?
The canonical SMILES for 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane is CC(C)N1CC2C[C@H]1CN2c1ccn(-c2cccc(N[C@@H](C)c3ccccc3)c2)n1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCNc1ccc(-n2nc(C3CC3)cc2C2CC2)nn1.CCOc1nc(NCc2ccco2)nc(-n2ccc(C)n2)n1.CC[C@H](C)CC(=O)c1c(Cl)cccc1C(=O)Nc1nc(C)cc(-n2nc(-c3ccc(Cl)cc3)cc2C)n1.C[C@H]1C[C@@H](C(=O)Cc2ccccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(-n3nc(C4CC4)cc3N)n2)C1.S.S.S.S.S.S.
What is the InChIKey of 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane?
The InChIKey is BDTHDVRKMPFFJC-ZDKFXOBOSA-N. The full InChI is InChI=1S/C28H27Cl2N5O2.C27H31N11O.C25H31N5.2C15H19N5.C14H16N6O2.6H2S/c1-5-16(2)13-24(36)26-21(7-6-8-22(26)30)27(37)33-28-31-17(3)14-25(32-28)35-18(4)15-23(34-35)19-9-11-20(29)12-10-19;1-15-10-21(22(39)11-18-4-2-3-9-29-18)37(14-15)26-31-25(30-24-13-19(34-35-24)16-5-6-16)32-27(33-26)38-23(28)12-20(36-38)17-7-8-17;1-18(2)28-16-24-15-23(28)17-29(24)25-12-13-30(27-25)22-11-7-10-21(14-22)26-19(3)20-8-5-4-6-9-20;2*1-2-16-14-7-8-15(18-17-14)20-13(11-5-6-11)9-12(19-20)10-3-4-10;1-3-21-14-17-12(15-9-11-5-4-8-22-11)16-13(18-14)20-7-6-10(2)19-20;;;;;;/h6-12,14-16H,5,13H2,1-4H3,(H,31,32,33,37);2-4,9,12-13,15-17,21H,5-8,10-11,14,28H2,1H3,(H2,30,31,32,33,34,35);4-14,18-19,23-24,26H,15-17H2,1-3H3;2*7-11H,2-6H2,1H3,(H,16,17);4-8H,3,9H2,1-2H3,(H,15,16,17,18);6*1H2/t16-;15-,21-;19-,23-,24?;;;;;;;;;/m000........./s1.
What are the key properties of 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane?
1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane has a molecular weight of 2507.17 g/mol, XLogP of 23.47, 39 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1-[4-(5-amino-3-cyclopropylpyrazol-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methylpyrrolidin-2-yl]-2-pyridin-2-ylethanone;3-chloro-N-[4-[3-(4-chlorophenyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-2-yl]-2-[(3S)-3-methylpentanoyl]benzamide;bis(6-(3,5-dicyclopropylpyrazol-1-yl)-N-ethylpyridazin-3-amine);4-ethoxy-N-(furan-2-ylmethyl)-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine;N-[(1S)-1-phenylethyl]-3-[3-[(4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazol-1-yl]aniline;sulfane is sourced from PubChem (CID 157317292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).