N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide

C27H28FN7OS — CID 175632382

IUPACN-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1C[C@@H](n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C[C@@H]1C
InChIInChI=1S/C27H28FN7OS/c1-16-8-22(9-19(16)14-33(4)18(3)36)35-17(2)23(13-32-35)20-10-25(37-27-24(28)6-5-7-30-27)26-21(11-29)12-31-34(26)15-20/h5-7,10,12-13,15-16,19,22H,8-9,14H2,1-4H3/t16-,19-,22-/m0/s1
InChIKeyHCJZUHYEXDZLLI-BPXKWBHBSA-N
MW517.63 g/mol
LogP5.13
Rot. Bonds6

About N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide

N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide (PubChem CID 175632382) has the molecular formula C27H28FN7OS and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide
PubChem CID175632382
Molecular FormulaC27H28FN7OS
Molecular Weight517.63 g/mol
Exact Mass517.21
IUPAC NameN-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1C[C@@H](n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C[C@@H]1C
InChIInChI=1S/C27H28FN7OS/c1-16-8-22(9-19(16)14-33(4)18(3)36)35-17(2)23(13-32-35)20-10-25(37-27-24(28)6-5-7-30-27)26-21(11-29)12-31-34(26)15-20/h5-7,10,12-13,15-16,19,22H,8-9,14H2,1-4H3/t16-,19-,22-/m0/s1
InChIKeyHCJZUHYEXDZLLI-BPXKWBHBSA-N
XLogP5.13
TPSA92.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide
CID 175632294
6-[1-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
6-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
N-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 171847958
2-amino-N,N-dimethylacetamide;6-(1-cyclohexyl-5-methylpyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848509
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848503
6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848582
6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847539
6-[1-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848453
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848619
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847964
4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848290

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide (CID 175632382) is N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide is CC(=O)N(C)C[C@@H]1C[C@@H](n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)C[C@@H]1C.
What is the InChIKey of N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide?
The InChIKey is HCJZUHYEXDZLLI-BPXKWBHBSA-N. The full InChI is InChI=1S/C27H28FN7OS/c1-16-8-22(9-19(16)14-33(4)18(3)36)35-17(2)23(13-32-35)20-10-25(37-27-24(28)6-5-7-30-27)26-21(11-29)12-31-34(26)15-20/h5-7,10,12-13,15-16,19,22H,8-9,14H2,1-4H3/t16-,19-,22-/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide?
N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide has a molecular weight of 517.63 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide is sourced from PubChem (CID 175632382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).