6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C82H78F8N34O2 — CID 159773898

IUPAC6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3ccco3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1
InChIInChI=1S/2C21H19F2N9.C20H22F2N8O.C20H18F2N8O/c22-13-5-6-14(15(23)9-13)17-4-2-8-32(17)21-28-19(24)27-20(29-21)26-18-10-16(30-31-18)12-3-1-7-25-11-12;22-12-6-7-13(14(23)10-12)17-5-3-9-32(17)21-28-19(24)27-20(29-21)26-18-11-16(30-31-18)15-4-1-2-8-25-15;2*21-11-5-6-12(13(22)9-11)15-3-1-7-30(15)20-26-18(23)25-19(27-20)24-17-10-14(28-29-17)16-4-2-8-31-16/h1,3,5-7,9-11,17H,2,4,8H2,(H4,24,26,27,28,29,30,31);1-2,4,6-8,10-11,17H,3,5,9H2,(H4,24,26,27,28,29,30,31);5-6,9-10,15-16H,1-4,7-8H2,(H4,23,24,25,26,27,28,29);2,4-6,8-10,15H,1,3,7H2,(H4,23,24,25,26,27,28,29)
InChIKeyNGMBFQIPUFHGGA-UHFFFAOYSA-N
MW1723.75 g/mol
LogP14.40
Rot. Bonds20

About 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159773898) has the molecular formula C82H78F8N34O2 and a molecular weight of 1723.75 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID159773898
Molecular FormulaC82H78F8N34O2
Molecular Weight1723.75 g/mol
Exact Mass1722.69
IUPAC Name6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3ccco3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1
InChIInChI=1S/2C21H19F2N9.C20H22F2N8O.C20H18F2N8O/c22-13-5-6-14(15(23)9-13)17-4-2-8-32(17)21-28-19(24)27-20(29-21)26-18-10-16(30-31-18)12-3-1-7-25-11-12;22-12-6-7-13(14(23)10-12)17-5-3-9-32(17)21-28-19(24)27-20(29-21)26-18-11-16(30-31-18)15-4-1-2-8-25-15;2*21-11-5-6-12(13(22)9-11)15-3-1-7-30(15)20-26-18(23)25-19(27-20)24-17-10-14(28-29-17)16-4-2-8-31-16/h1,3,5-7,9-11,17H,2,4,8H2,(H4,24,26,27,28,29,30,31);1-2,4,6-8,10-11,17H,3,5,9H2,(H4,24,26,27,28,29,30,31);5-6,9-10,15-16H,1-4,7-8H2,(H4,23,24,25,26,27,28,29);2,4-6,8-10,15H,1,3,7H2,(H4,23,24,25,26,27,28,29)
InChIKeyNGMBFQIPUFHGGA-UHFFFAOYSA-N
XLogP14.40
TPSA482.71 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.75
LogP ≤ 514.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 58486576
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 44251181
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
3-[6-fluoro-7-[7-[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,7]naphthyridin-5-yl]-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 145037625
N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N'-[[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-1-yl]methyl]-N'-methylethane-1,2-diamine
CID 145664901
6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 145745108
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 145745119
4-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 145745129
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 145745157
6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 145745166
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine
CID 145745630
5-[2-[4-[2-fluoro-4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146468842

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 159773898) is 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(-c3ccco3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CCCO3)[nH]n2)nc(N2CCCC2c2ccc(F)cc2F)n1.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NGMBFQIPUFHGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19F2N9.C20H22F2N8O.C20H18F2N8O/c22-13-5-6-14(15(23)9-13)17-4-2-8-32(17)21-28-19(24)27-20(29-21)26-18-10-16(30-31-18)12-3-1-7-25-11-12;22-12-6-7-13(14(23)10-12)17-5-3-9-32(17)21-28-19(24)27-20(29-21)26-18-11-16(30-31-18)15-4-1-2-8-25-15;2*21-11-5-6-12(13(22)9-11)15-3-1-7-30(15)20-26-18(23)25-19(27-20)24-17-10-14(28-29-17)16-4-2-8-31-16/h1,3,5-7,9-11,17H,2,4,8H2,(H4,24,26,27,28,29,30,31);1-2,4,6-8,10-11,17H,3,5,9H2,(H4,24,26,27,28,29,30,31);5-6,9-10,15-16H,1-4,7-8H2,(H4,23,24,25,26,27,28,29);2,4-6,8-10,15H,1,3,7H2,(H4,23,24,25,26,27,28,29).
What are the key properties of 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1723.75 g/mol, XLogP of 14.40, 20 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159773898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).