Skip to content

3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one

C24H29N7O3 — CID 135226008

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one
SMILESC=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncn(C3CCC3)c2c1=O
InChIInChI=1S/C24H29N7O3/c1-4-20(32)29-8-15-16(9-29)17(15)10-30-12-18(26-19-11-28(2)27-23(19)34-3)21-22(24(30)33)31(13-25-21)14-6-5-7-14/h4,11-17,26H,1,5-10H2,2-3H3
InChIKeyAVAIFXCAOLLHKX-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.30
Rot. Bonds7

About 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one

3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one (PubChem CID 135226008) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one
PubChem CID135226008
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one
SMILESC=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncn(C3CCC3)c2c1=O
InChIInChI=1S/C24H29N7O3/c1-4-20(32)29-8-15-16(9-29)17(15)10-30-12-18(26-19-11-28(2)27-23(19)34-3)21-22(24(30)33)31(13-25-21)14-6-5-7-14/h4,11-17,26H,1,5-10H2,2-3H3
InChIKeyAVAIFXCAOLLHKX-UHFFFAOYSA-N
XLogP2.30
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one (CID 135226008) is 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one is C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncn(C3CCC3)c2c1=O.
What is the InChIKey of 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one?
The InChIKey is AVAIFXCAOLLHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-20(32)29-8-15-16(9-29)17(15)10-30-12-18(26-19-11-28(2)27-23(19)34-3)21-22(24(30)33)31(13-25-21)14-6-5-7-14/h4,11-17,26H,1,5-10H2,2-3H3.
What are the key properties of 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one?
3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one has a molecular weight of 463.54 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 135226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.