N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine

C64H70BrN19S2 — CID 158018356

IUPACN-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N(C)C)nc12.CSc1nc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C(C)C)c2n1.CSc1nc(NCc2ccc(Br)cc2)n2ncc(C(C)C)c2n1.c1ccncc1
InChIInChI=1S/C22H25N7.C21H22N6S.C16H18BrN5S.C5H5N/c1-15(2)18-14-25-29-20(18)26-22(28(3)4)27-21(29)24-13-16-8-10-17(11-9-16)19-7-5-6-12-23-19;1-14(2)17-13-24-27-19(17)25-21(28-3)26-20(27)23-12-15-7-9-16(10-8-15)18-6-4-5-11-22-18;1-10(2)13-9-19-22-14(13)20-16(23-3)21-15(22)18-8-11-4-6-12(17)7-5-11;1-2-4-6-5-3-1/h5-12,14-15H,13H2,1-4H3,(H,24,26,27);4-11,13-14H,12H2,1-3H3,(H,23,25,26);4-7,9-10H,8H2,1-3H3,(H,18,20,21);1-5H
InChIKeyFFTHRHHYAAJCTL-UHFFFAOYSA-N
MW1249.43 g/mol
LogP14.06
Rot. Bonds17

About N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine

N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine (PubChem CID 158018356) has the molecular formula C64H70BrN19S2 and a molecular weight of 1249.43 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine
PubChem CID158018356
Molecular FormulaC64H70BrN19S2
Molecular Weight1249.43 g/mol
Exact Mass1247.47
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N(C)C)nc12.CSc1nc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C(C)C)c2n1.CSc1nc(NCc2ccc(Br)cc2)n2ncc(C(C)C)c2n1.c1ccncc1
InChIInChI=1S/C22H25N7.C21H22N6S.C16H18BrN5S.C5H5N/c1-15(2)18-14-25-29-20(18)26-22(28(3)4)27-21(29)24-13-16-8-10-17(11-9-16)19-7-5-6-12-23-19;1-14(2)17-13-24-27-19(17)25-21(28-3)26-20(27)23-12-15-7-9-16(10-8-15)18-6-4-5-11-22-18;1-10(2)13-9-19-22-14(13)20-16(23-3)21-15(22)18-8-11-4-6-12(17)7-5-11;1-2-4-6-5-3-1/h5-12,14-15H,13H2,1-4H3,(H,24,26,27);4-11,13-14H,12H2,1-3H3,(H,23,25,26);4-7,9-10H,8H2,1-3H3,(H,18,20,21);1-5H
InChIKeyFFTHRHHYAAJCTL-UHFFFAOYSA-N
XLogP14.06
TPSA207.24 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.43
LogP ≤ 514.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine with MolForge

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Related Compounds

N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 67968397
2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol
CID 67135661
2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 70354562
5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 166529556
CID 176916980
CID 176916980
8-bromo-2-N-[(1S,2S)-2-(methylamino)cyclopentyl]-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 176916968
benzyl 4-[[(2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 170358386
8-bromo-2-N-[2-(methylamino)cyclohexyl]-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;ethane
CID 176916939
N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 160946746
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956
2-N-(4-iminocyclohexyl)-8-iodo-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 176916884
2-methyl-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;sulfur dioxide
CID 161403658

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine (CID 158018356) is N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N(C)C)nc12.CSc1nc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C(C)C)c2n1.CSc1nc(NCc2ccc(Br)cc2)n2ncc(C(C)C)c2n1.c1ccncc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine?
The InChIKey is FFTHRHHYAAJCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7.C21H22N6S.C16H18BrN5S.C5H5N/c1-15(2)18-14-25-29-20(18)26-22(28(3)4)27-21(29)24-13-16-8-10-17(11-9-16)19-7-5-6-12-23-19;1-14(2)17-13-24-27-19(17)25-21(28-3)26-20(27)23-12-15-7-9-16(10-8-15)18-6-4-5-11-22-18;1-10(2)13-9-19-22-14(13)20-16(23-3)21-15(22)18-8-11-4-6-12(17)7-5-11;1-2-4-6-5-3-1/h5-12,14-15H,13H2,1-4H3,(H,24,26,27);4-11,13-14H,12H2,1-3H3,(H,23,25,26);4-7,9-10H,8H2,1-3H3,(H,18,20,21);1-5H.
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine?
N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine has a molecular weight of 1249.43 g/mol, XLogP of 14.06, 17 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine is sourced from PubChem (CID 158018356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).