4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide

C27H22FN7O2 — CID 134521496

IUPAC4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C27H22FN7O2/c1-2-24(36)34-12-4-5-20(16-34)35-26-19(13-29)14-30-15-21(26)25(33-35)17-8-10-18(11-9-17)27(37)32-23-7-3-6-22(28)31-23/h2-3,6-11,14-15,20H,1,4-5,12,16H2,(H,31,32,37)/t20-/m1/s1
InChIKeyJSTSXGQWPXRBTM-HXUWFJFHSA-N
MW495.52 g/mol
LogP4.11
Rot. Bonds5

About 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide

4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide (PubChem CID 134521496) has the molecular formula C27H22FN7O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
PubChem CID134521496
Molecular FormulaC27H22FN7O2
Molecular Weight495.52 g/mol
Exact Mass495.18
IUPAC Name4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(C#N)c32)C1
InChIInChI=1S/C27H22FN7O2/c1-2-24(36)34-12-4-5-20(16-34)35-26-19(13-29)14-30-15-21(26)25(33-35)17-8-10-18(11-9-17)27(37)32-23-7-3-6-22(28)31-23/h2-3,6-11,14-15,20H,1,4-5,12,16H2,(H,31,32,37)/t20-/m1/s1
InChIKeyJSTSXGQWPXRBTM-HXUWFJFHSA-N
XLogP4.11
TPSA116.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide with MolForge

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Related Compounds

4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521394
4-[7-cyano-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134521305
4-[4-amino-7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521314
3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409150
3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409151
4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521449
4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521503
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
4-[7-chloro-1-[[(3S)-1-prop-2-enoylpiperidin-3-yl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521324
4-[7-chloro-1-[(1-prop-2-enoylpiperidin-3-yl)methyl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521325
1-[5-[7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrimidin-2-yl]-4-oxopyridine-3-carbonitrile
CID 134521375
5-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidine-2-carboxamide
CID 134521744

Frequently Asked Questions

What is the IUPAC name of 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide (CID 134521496) is 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(C#N)c32)C1.
What is the InChIKey of 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The InChIKey is JSTSXGQWPXRBTM-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H22FN7O2/c1-2-24(36)34-12-4-5-20(16-34)35-26-19(13-29)14-30-15-21(26)25(33-35)17-8-10-18(11-9-17)27(37)32-23-7-3-6-22(28)31-23/h2-3,6-11,14-15,20H,1,4-5,12,16H2,(H,31,32,37)/t20-/m1/s1.
What are the key properties of 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide has a molecular weight of 495.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 134521496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).