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

C26H24FN7O2 — CID 146524019

IUPAC4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C26H24FN7O2/c1-2-22(35)33-13-3-4-19(15-33)34-20-10-12-30-25(28)23(20)24(32-34)16-5-7-17(8-6-16)26(36)31-21-14-18(27)9-11-29-21/h2,5-12,14,19H,1,3-4,13,15H2,(H2,28,30)(H,29,31,36)
InChIKeyDJRQDBZJJUJEFE-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.82
Rot. Bonds5

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

4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide (PubChem CID 146524019) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide
PubChem CID146524019
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C26H24FN7O2/c1-2-22(35)33-13-3-4-19(15-33)34-20-10-12-30-25(28)23(20)24(32-34)16-5-7-17(8-6-16)26(36)31-21-14-18(27)9-11-29-21/h2,5-12,14,19H,1,3-4,13,15H2,(H2,28,30)(H,29,31,36)
InChIKeyDJRQDBZJJUJEFE-UHFFFAOYSA-N
XLogP3.82
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 118692395
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
4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524125
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-1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222862
4-[4-amino-1-[1-(cyclobutanecarbonyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222802
N-[4-[4-amino-7-bromo-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]phenyl]benzamide
CID 146524190
4-[4-amino-1-(1-propanoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71223114
1-[(3R)-3-[4-amino-3-(4-benzoylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 122597770
N-[[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2,5-difluorobenzamide
CID 118579114
5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide
CID 164518883

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 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) is 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide is C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c3c(N)nccc32)C1.
What is the InChIKey of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide?
The InChIKey is DJRQDBZJJUJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-2-22(35)33-13-3-4-19(15-33)34-20-10-12-30-25(28)23(20)24(32-34)16-5-7-17(8-6-16)26(36)31-21-14-18(27)9-11-29-21/h2,5-12,14,19H,1,3-4,13,15H2,(H2,28,30)(H,29,31,36).
What are the key properties of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide?
4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide has a molecular weight of 485.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 146524019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).