3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

C20H22ClN7O3 — CID 122692508

About 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 122692508) has the molecular formula C20H22ClN7O3 and a molecular weight of 443.90 g/mol. Its IUPAC name is 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

• Compound Name: 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
• PubChem CID: 122692508
• Molecular Formula: C20H22ClN7O3
• Molecular Weight: 443.90 g/mol
• Exact Mass: 443.15
• IUPAC Name: 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
• SMILES: C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(Cl)n2c1=O
• InChI: InChI=1S/C20H22ClN7O3/c1-4-17(29)26-6-11-12(7-26)13(11)8-27-10-14(18-22-5-16(21)28(18)20(27)30)23-15-9-25(2)24-19(15)31-3/h4-5,9-13,23H,1,6-8H2,2-3H3
• InChIKey: SRYMZSGQHCRJLG-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 98.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.90
LogP ≤ 5	1.53
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-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?

The IUPAC name of 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one (CID 122692508) is 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one.

What is the SMILES notation for 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?

The canonical SMILES for 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one is C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(Cl)n2c1=O.

What is the InChIKey of 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?

The InChIKey is SRYMZSGQHCRJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O3/c1-4-17(29)26-6-11-12(7-26)13(11)8-27-10-14(18-22-5-16(21)28(18)20(27)30)23-15-9-25(2)24-19(15)31-3/h4-5,9-13,23H,1,6-8H2,2-3H3.

What are the key properties of 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one?

3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 443.90 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 122692508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).