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

C26H22F2N6O2 — CID 134521394

IUPAC4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(F)c32)C1
InChIInChI=1S/C26H22F2N6O2/c1-2-23(35)33-12-4-5-18(15-33)34-25-19(13-29-14-20(25)27)24(32-34)16-8-10-17(11-9-16)26(36)31-22-7-3-6-21(28)30-22/h2-3,6-11,13-14,18H,1,4-5,12,15H2,(H,30,31,36)
InChIKeyXMBJUWIMBSFLHH-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.37
Rot. Bonds5

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

4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide (PubChem CID 134521394) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
PubChem CID134521394
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(F)c32)C1
InChIInChI=1S/C26H22F2N6O2/c1-2-23(35)33-12-4-5-18(15-33)34-25-19(13-29-14-20(25)27)24(32-34)16-8-10-17(11-9-16)26(36)31-22-7-3-6-21(28)30-22/h2-3,6-11,13-14,18H,1,4-5,12,15H2,(H,30,31,36)
InChIKeyXMBJUWIMBSFLHH-UHFFFAOYSA-N
XLogP4.37
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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-[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
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
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
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
1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one
CID 134521334
4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 146524019
4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524125

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 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) is 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide is C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cccc(F)n4)cc3)c3cncc(F)c32)C1.
What is the InChIKey of 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
The InChIKey is XMBJUWIMBSFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-2-23(35)33-12-4-5-18(15-33)34-25-19(13-29-14-20(25)27)24(32-34)16-8-10-17(11-9-16)26(36)31-22-7-3-6-21(28)30-22/h2-3,6-11,13-14,18H,1,4-5,12,15H2,(H,30,31,36).
What are the key properties of 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide?
4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide has a molecular weight of 488.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 134521394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).