4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide

C24H23N9O3 — CID 134521377

IUPAC4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3cnc(-n4ccc(=O)cc4)nc3)c3c(N)ncc(C(N)=O)c32)C1
InChIInChI=1S/C24H23N9O3/c1-2-18(35)32-7-3-4-15(13-32)33-21-17(23(26)36)12-27-22(25)19(21)20(30-33)14-10-28-24(29-11-14)31-8-5-16(34)6-9-31/h2,5-6,8-12,15H,1,3-4,7,13H2,(H2,25,27)(H2,26,36)/t15-/m1/s1
InChIKeyJTCWTFJTNVTMNU-OAHLLOKOSA-N
MW485.51 g/mol
LogP1.07
Rot. Bonds5

About 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide

4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide (PubChem CID 134521377) has the molecular formula C24H23N9O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide
PubChem CID134521377
Molecular FormulaC24H23N9O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3cnc(-n4ccc(=O)cc4)nc3)c3c(N)ncc(C(N)=O)c32)C1
InChIInChI=1S/C24H23N9O3/c1-2-18(35)32-7-3-4-15(13-32)33-21-17(23(26)36)12-27-22(25)19(21)20(30-33)14-10-28-24(29-11-14)31-8-5-16(34)6-9-31/h2,5-6,8-12,15H,1,3-4,7,13H2,(H2,25,27)(H2,26,36)/t15-/m1/s1
InChIKeyJTCWTFJTNVTMNU-OAHLLOKOSA-N
XLogP1.07
TPSA167.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide with MolForge

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Related Compounds

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
1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one
CID 134521334
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-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524125
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-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 118649285
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-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416
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-[(3R)-3-[4-amino-3-(4-benzoylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 122597770
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655
1-[3-[4-amino-3-(6-phenoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465193

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide (CID 134521377) is 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide is C=CC(=O)N1CCC[C@@H](n2nc(-c3cnc(-n4ccc(=O)cc4)nc3)c3c(N)ncc(C(N)=O)c32)C1.
What is the InChIKey of 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide?
The InChIKey is JTCWTFJTNVTMNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N9O3/c1-2-18(35)32-7-3-4-15(13-32)33-21-17(23(26)36)12-27-22(25)19(21)20(30-33)14-10-28-24(29-11-14)31-8-5-16(34)6-9-31/h2,5-6,8-12,15H,1,3-4,7,13H2,(H2,25,27)(H2,26,36)/t15-/m1/s1.
What are the key properties of 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide?
4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 134521377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).