[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C81H82F4N34O2S — CID 158206938

IUPAC[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(CO)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN10.C20H23FN8O.C20H19FN8S.C17H19FN8O/c25-16-6-3-14(4-7-16)20-2-1-11-35(20)24-31-22(26)30-23(32-24)29-21-13-18(33-34-21)15-5-8-17-19(12-15)28-10-9-27-17;2*21-13-7-5-12(6-8-13)15-3-1-9-29(15)20-25-18(22)24-19(26-20)23-17-11-14(27-28-17)16-4-2-10-30-16;18-11-5-3-10(4-6-11)13-2-1-7-26(13)17-22-15(19)21-16(23-17)20-14-8-12(9-27)24-25-14/h3-10,12-13,20H,1-2,11H2,(H4,26,29,30,31,32,33,34);5-8,11,15-16H,1-4,9-10H2,(H4,22,23,24,25,26,27,28);2,4-8,10-11,15H,1,3,9H2,(H4,22,23,24,25,26,27,28);3-6,8,13,27H,1-2,7,9H2,(H4,19,20,21,22,23,24,25)
InChIKeyGBPMQDONKLZDST-UHFFFAOYSA-N
MW1671.84 g/mol
LogP13.29
Rot. Bonds20

About [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 158206938) has the molecular formula C81H82F4N34O2S and a molecular weight of 1671.84 g/mol. Its IUPAC name is [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID158206938
Molecular FormulaC81H82F4N34O2S
Molecular Weight1671.84 g/mol
Exact Mass1670.70
IUPAC Name[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(CO)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN10.C20H23FN8O.C20H19FN8S.C17H19FN8O/c25-16-6-3-14(4-7-16)20-2-1-11-35(20)24-31-22(26)30-23(32-24)29-21-13-18(33-34-21)15-5-8-17-19(12-15)28-10-9-27-17;2*21-13-7-5-12(6-8-13)15-3-1-9-29(15)20-25-18(22)24-19(26-20)23-17-11-14(27-28-17)16-4-2-10-30-16;18-11-5-3-10(4-6-11)13-2-1-7-26(13)17-22-15(19)21-16(23-17)20-14-8-12(9-27)24-25-14/h3-10,12-13,20H,1-2,11H2,(H4,26,29,30,31,32,33,34);5-8,11,15-16H,1-4,9-10H2,(H4,22,23,24,25,26,27,28);2,4-8,10-11,15H,1,3,9H2,(H4,22,23,24,25,26,27,28);3-6,8,13,27H,1-2,7,9H2,(H4,19,20,21,22,23,24,25)
InChIKeyGBPMQDONKLZDST-UHFFFAOYSA-N
XLogP13.29
TPSA489.80 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001671.84
LogP ≤ 513.29
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 157098807
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol
CID 159117824

Frequently Asked Questions

What is the IUPAC name of [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 158206938) is [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(CO)[nH]n2)nc(N2CCCC2c2ccc(F)cc2)n1.
What is the InChIKey of [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GBPMQDONKLZDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN10.C20H23FN8O.C20H19FN8S.C17H19FN8O/c25-16-6-3-14(4-7-16)20-2-1-11-35(20)24-31-22(26)30-23(32-24)29-21-13-18(33-34-21)15-5-8-17-19(12-15)28-10-9-27-17;2*21-13-7-5-12(6-8-13)15-3-1-9-29(15)20-25-18(22)24-19(26-20)23-17-11-14(27-28-17)16-4-2-10-30-16;18-11-5-3-10(4-6-11)13-2-1-7-26(13)17-22-15(19)21-16(23-17)20-14-8-12(9-27)24-25-14/h3-10,12-13,20H,1-2,11H2,(H4,26,29,30,31,32,33,34);5-8,11,15-16H,1-4,9-10H2,(H4,22,23,24,25,26,27,28);2,4-8,10-11,15H,1,3,9H2,(H4,22,23,24,25,26,27,28);3-6,8,13,27H,1-2,7,9H2,(H4,19,20,21,22,23,24,25).
What are the key properties of [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1671.84 g/mol, XLogP of 13.29, 20 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158206938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).