1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

C100H112F5N39O — CID 159844437

IUPAC1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(=O)n1nc(Nc2nc(N)nc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CN(c1cc(C2CC2)[nH]n1)c1nc(N)nc(N2CCCC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C21H23FN8O.2C20H23FN8.C20H22FN7.C19H21FN8/c1-12(31)30-17(14-4-5-14)11-18(28-30)24-20-25-19(23)26-21(27-20)29-10-2-3-16(29)13-6-8-15(22)9-7-13;1-28(17-11-15(26-27-17)12-4-5-12)19-23-18(22)24-20(25-19)29-10-2-3-16(29)13-6-8-14(21)9-7-13;21-14-8-6-13(7-9-14)16-5-2-10-29(16)20-25-18(22)24-19(26-20)23-17-11-15(27-28-17)12-3-1-4-12;1-12-22-19(24-18-11-16(26-27-18)13-4-5-13)25-20(23-12)28-10-2-3-17(28)14-6-8-15(21)9-7-14;20-13-7-5-12(6-8-13)15-2-1-9-28(15)19-24-17(21)23-18(25-19)22-16-10-14(26-27-16)11-3-4-11/h6-9,11,14,16H,2-5,10H2,1H3,(H3,23,24,25,26,27,28);6-9,11-12,16H,2-5,10H2,1H3,(H,26,27)(H2,22,23,24,25);6-9,11-12,16H,1-5,10H2,(H4,22,23,24,25,26,27,28);6-9,11,13,17H,2-5,10H2,1H3,(H2,22,23,24,25,26,27);5-8,10-11,15H,1-4,9H2,(H4,21,22,23,24,25,26,27)
InChIKeyNPCQIZLAVIFRQD-UHFFFAOYSA-N
MW1971.26 g/mol
LogP17.67
Rot. Bonds25

About 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 159844437) has the molecular formula C100H112F5N39O and a molecular weight of 1971.26 g/mol. Its IUPAC name is 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID159844437
Molecular FormulaC100H112F5N39O
Molecular Weight1971.26 g/mol
Exact Mass1969.98
IUPAC Name1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(=O)n1nc(Nc2nc(N)nc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CN(c1cc(C2CC2)[nH]n1)c1nc(N)nc(N2CCCC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C21H23FN8O.2C20H23FN8.C20H22FN7.C19H21FN8/c1-12(31)30-17(14-4-5-14)11-18(28-30)24-20-25-19(23)26-21(27-20)29-10-2-3-16(29)13-6-8-15(22)9-7-13;1-28(17-11-15(26-27-17)12-4-5-12)19-23-18(22)24-20(25-19)29-10-2-3-16(29)13-6-8-14(21)9-7-13;21-14-8-6-13(7-9-14)16-5-2-10-29(16)20-25-18(22)24-19(26-20)23-17-11-15(27-28-17)12-3-1-4-12;1-12-22-19(24-18-11-16(26-27-18)13-4-5-13)25-20(23-12)28-10-2-3-17(28)14-6-8-15(21)9-7-14;20-13-7-5-12(6-8-13)15-2-1-9-28(15)19-24-17(21)23-18(25-19)22-16-10-14(26-27-16)11-3-4-11/h6-9,11,14,16H,2-5,10H2,1H3,(H3,23,24,25,26,27,28);6-9,11-12,16H,2-5,10H2,1H3,(H,26,27)(H2,22,23,24,25);6-9,11-12,16H,1-5,10H2,(H4,22,23,24,25,26,27,28);6-9,11,13,17H,2-5,10H2,1H3,(H2,22,23,24,25,26,27);5-8,10-11,15H,1-4,9H2,(H4,21,22,23,24,25,26,27)
InChIKeyNPCQIZLAVIFRQD-UHFFFAOYSA-N
XLogP17.67
TPSA514.60 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001971.26
LogP ≤ 517.67
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 159844437) is 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is CC(=O)n1nc(Nc2nc(N)nc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CN(c1cc(C2CC2)[nH]n1)c1nc(N)nc(N2CCCC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.
What is the InChIKey of 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NPCQIZLAVIFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O.2C20H23FN8.C20H22FN7.C19H21FN8/c1-12(31)30-17(14-4-5-14)11-18(28-30)24-20-25-19(23)26-21(27-20)29-10-2-3-16(29)13-6-8-15(22)9-7-13;1-28(17-11-15(26-27-17)12-4-5-12)19-23-18(22)24-20(25-19)29-10-2-3-16(29)13-6-8-14(21)9-7-13;21-14-8-6-13(7-9-14)16-5-2-10-29(16)20-25-18(22)24-19(26-20)23-17-11-15(27-28-17)12-3-1-4-12;1-12-22-19(24-18-11-16(26-27-18)13-4-5-13)25-20(23-12)28-10-2-3-17(28)14-6-8-15(21)9-7-14;20-13-7-5-12(6-8-13)15-2-1-9-28(15)19-24-17(21)23-18(25-19)22-16-10-14(26-27-16)11-3-4-11/h6-9,11,14,16H,2-5,10H2,1H3,(H3,23,24,25,26,27,28);6-9,11-12,16H,2-5,10H2,1H3,(H,26,27)(H2,22,23,24,25);6-9,11-12,16H,1-5,10H2,(H4,22,23,24,25,26,27,28);6-9,11,13,17H,2-5,10H2,1H3,(H2,22,23,24,25,26,27);5-8,10-11,15H,1-4,9H2,(H4,21,22,23,24,25,26,27).
What are the key properties of 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1971.26 g/mol, XLogP of 17.67, 25 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;2-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159844437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).