3-cyclopropyl-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;ethane

C25H33N7O3 — CID 145187472

About 3-cyclopropyl-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;ethane

3-cyclopropyl-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;ethane (PubChem CID 145187472) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is 3-cyclopropyl-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;ethane.

Molecular Properties

• Compound Name: 3-cyclopropyl-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;ethane
• PubChem CID: 145187472
• Molecular Formula: C25H33N7O3
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.26
• IUPAC Name: 3-cyclopropyl-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;ethane
• SMILES: C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncn(C3CC3)c2c1=O.CC
• InChI: InChI=1S/C23H27N7O3.C2H6/c1-4-19(31)28-7-14-15(8-28)16(14)9-29-11-17(25-18-10-27(2)26-22(18)33-3)20-21(23(29)32)30(12-24-20)13-5-6-13;1-2/h4,10-16,25H,1,5-9H2,2-3H3;1-2H3
• InChIKey: PDQWEYOQEDFVEJ-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 99.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-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;ethane?

The IUPAC name of 3-cyclopropyl-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;ethane (CID 145187472) is 3-cyclopropyl-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;ethane.

What is the SMILES notation for 3-cyclopropyl-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;ethane?

The canonical SMILES for 3-cyclopropyl-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;ethane is C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncn(C3CC3)c2c1=O.CC.

What is the InChIKey of 3-cyclopropyl-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;ethane?

The InChIKey is PDQWEYOQEDFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3.C2H6/c1-4-19(31)28-7-14-15(8-28)16(14)9-29-11-17(25-18-10-27(2)26-22(18)33-3)20-21(23(29)32)30(12-24-20)13-5-6-13;1-2/h4,10-16,25H,1,5-9H2,2-3H3;1-2H3.

What are the key properties of 3-cyclopropyl-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;ethane?

3-cyclopropyl-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;ethane has a molecular weight of 479.59 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-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;ethane is sourced from PubChem (CID 145187472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).