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

C28H28N6O2 — CID 146524125

IUPAC4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(C)c32)C1
InChIInChI=1S/C28H28N6O2/c1-3-23(35)33-15-7-10-22(17-33)34-26-18(2)16-30-27(29)24(26)25(32-34)19-11-13-20(14-12-19)28(36)31-21-8-5-4-6-9-21/h3-6,8-9,11-14,16,22H,1,7,10,15,17H2,2H3,(H2,29,30)(H,31,36)
InChIKeyRUKNHEHGEQXZNE-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.59
Rot. Bonds5

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

4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide (PubChem CID 146524125) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
PubChem CID146524125
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(C)c32)C1
InChIInChI=1S/C28H28N6O2/c1-3-23(35)33-15-7-10-22(17-33)34-26-18(2)16-30-27(29)24(26)25(32-34)19-11-13-20(14-12-19)28(36)31-21-8-5-4-6-9-21/h3-6,8-9,11-14,16,22H,1,7,10,15,17H2,2H3,(H2,29,30)(H,31,36)
InChIKeyRUKNHEHGEQXZNE-UHFFFAOYSA-N
XLogP4.59
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524015
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-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
CID 146562766
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-[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-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
4-[4-amino-1-(1-but-2-ynoylpiperidin-3-yl)-7-chloropyrazolo[4,5-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521396

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The IUPAC name of 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide (CID 146524125) is 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide is C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)c3c(N)ncc(C)c32)C1.
What is the InChIKey of 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
The InChIKey is RUKNHEHGEQXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-3-23(35)33-15-7-10-22(17-33)34-26-18(2)16-30-27(29)24(26)25(32-34)19-11-13-20(14-12-19)28(36)31-21-8-5-4-6-9-21/h3-6,8-9,11-14,16,22H,1,7,10,15,17H2,2H3,(H2,29,30)(H,31,36).
What are the key properties of 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide?
4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide has a molecular weight of 480.57 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide is sourced from PubChem (CID 146524125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).