N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

C25H29F3N10O2S — CID 123896127

IUPACN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1nc(N2CCN(CC(F)(F)F)CC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C25H29F3N10O2S/c1-16(2)38-20-11-22(30-13-19(20)24(34-38)36-9-7-35(8-10-36)15-25(26,27)28)32-21-5-6-29-23(33-21)17-12-31-37(14-17)41(39,40)18-3-4-18/h5-6,11-14,16,18H,3-4,7-10,15H2,1-2H3,(H,29,30,32,33)
InChIKeyZIXSRILVGFKAEV-UHFFFAOYSA-N
MW590.64 g/mol
LogP3.43
Rot. Bonds8

About N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 123896127) has the molecular formula C25H29F3N10O2S and a molecular weight of 590.64 g/mol. Its IUPAC name is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID123896127
Molecular FormulaC25H29F3N10O2S
Molecular Weight590.64 g/mol
Exact Mass590.21
IUPAC NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1nc(N2CCN(CC(F)(F)F)CC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C25H29F3N10O2S/c1-16(2)38-20-11-22(30-13-19(20)24(34-38)36-9-7-35(8-10-36)15-25(26,27)28)32-21-5-6-29-23(33-21)17-12-31-37(14-17)41(39,40)18-3-4-18/h5-6,11-14,16,18H,3-4,7-10,15H2,1-2H3,(H,29,30,32,33)
InChIKeyZIXSRILVGFKAEV-UHFFFAOYSA-N
XLogP3.43
TPSA126.96 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Related Compounds

N-{5-[(1-Cycloheptyl-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)amino]pyridin-2-Yl}methanesulfonamide
CID 53308640
9-ethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-amine
CID 118578642
1-(2-Chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 127050486
N-(2-Aminoethyl)-N-{5-[(1-Cycloheptyl-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)amino]pyridin-2-Yl}methanesulfonamide
CID 53308639
(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22390479
[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-{5-[4-(2-methanesulfonyl-ethylamino)-piperidin-1-ylmethyl]-pyrrolo[2,1-f][1,2,4]triazin-4-yl}-amine
CID 22390541
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177333
N-[(3S)-1-propylsulfonylpiperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177348
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177364
3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-propylsulfonylpiperidin-3-yl]pyridin-2-amine
CID 58177366
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)pyridin-2-amine
CID 58177399

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 123896127) is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is CC(C)n1nc(N2CCN(CC(F)(F)F)CC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.
What is the InChIKey of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is ZIXSRILVGFKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N10O2S/c1-16(2)38-20-11-22(30-13-19(20)24(34-38)36-9-7-35(8-10-36)15-25(26,27)28)32-21-5-6-29-23(33-21)17-12-31-37(14-17)41(39,40)18-3-4-18/h5-6,11-14,16,18H,3-4,7-10,15H2,1-2H3,(H,29,30,32,33).
What are the key properties of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 590.64 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 123896127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).