4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide

C30H28N8O2 — CID 146524015

IUPAC4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(-c4cn[nH]c4)c32)C1
InChIInChI=1S/C30H28N8O2/c1-2-25(39)37-14-6-9-23(18-37)38-28-24(21-15-33-34-16-21)17-32-29(31)26(28)27(36-38)19-10-12-20(13-11-19)30(40)35-22-7-4-3-5-8-22/h2-5,7-8,10-13,15-17,23H,1,6,9,14,18H2,(H2,31,32)(H,33,34)(H,35,40)
InChIKeyFVZGUFSZGCFWHC-UHFFFAOYSA-N
MW532.61 g/mol
LogP4.67
Rot. Bonds6

About 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide

4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide (PubChem CID 146524015) has the molecular formula C30H28N8O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
PubChem CID146524015
Molecular FormulaC30H28N8O2
Molecular Weight532.61 g/mol
Exact Mass532.23
IUPAC Name4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(-c4cn[nH]c4)c32)C1
InChIInChI=1S/C30H28N8O2/c1-2-25(39)37-14-6-9-23(18-37)38-28-24(21-15-33-34-16-21)17-32-29(31)26(28)27(36-38)19-10-12-20(13-11-19)30(40)35-22-7-4-3-5-8-22/h2-5,7-8,10-13,15-17,23H,1,6,9,14,18H2,(H2,31,32)(H,33,34)(H,35,40)
InChIKeyFVZGUFSZGCFWHC-UHFFFAOYSA-N
XLogP4.67
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 54.67
H-Bond Donors ≤ 53
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-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524125
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-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-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide
CID 137412204
1-[(3R)-3-[4-amino-3-(4-anilinophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 159753157
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
4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 118649285
4-[4-amino-7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-3-methoxy-N-pyridin-2-ylbenzamide
CID 146524150
4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
CID 146562766
4-amino-6-methyl-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-d]pyridazin-7-one
CID 162661772
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The IUPAC name of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide (CID 146524015) is 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide is C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(-c4cn[nH]c4)c32)C1.
What is the InChIKey of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The InChIKey is FVZGUFSZGCFWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O2/c1-2-25(39)37-14-6-9-23(18-37)38-28-24(21-15-33-34-16-21)17-32-29(31)26(28)27(36-38)19-10-12-20(13-11-19)30(40)35-22-7-4-3-5-8-22/h2-5,7-8,10-13,15-17,23H,1,6,9,14,18H2,(H2,31,32)(H,33,34)(H,35,40).
What are the key properties of 4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide has a molecular weight of 532.61 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 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)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide is sourced from PubChem (CID 146524015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).