N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C29H30N10O3 — CID 171758794

About N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758794) has the molecular formula C29H30N10O3 and a molecular weight of 566.63 g/mol. Its IUPAC name is N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758794
• Molecular Formula: C29H30N10O3
• Molecular Weight: 566.63 g/mol
• Exact Mass: 566.25
• IUPAC Name: N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2cc(NCc3cc4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)n4n3)nc(C)n2)n1
• InChI: InChI=1S/C29H30N10O3/c1-15-6-7-30-27(32-15)21-11-22(21)28(41)35-24-12-23(33-16(2)34-24)31-13-19-10-20-8-18(17-4-5-17)9-25(39(20)36-19)38-14-26(40)37(3)29(38)42/h6-10,12,17,21-22H,4-5,11,13-14H2,1-3H3,(H2,31,33,34,35,41)
• InChIKey: JKBALCIPSDYILO-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 150.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.63
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758794) is N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(NCc3cc4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)n4n3)nc(C)n2)n1.

What is the InChIKey of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is JKBALCIPSDYILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N10O3/c1-15-6-7-30-27(32-15)21-11-22(21)28(41)35-24-12-23(33-16(2)34-24)31-13-19-10-20-8-18(17-4-5-17)9-25(39(20)36-19)38-14-26(40)37(3)29(38)42/h6-10,12,17,21-22H,4-5,11,13-14H2,1-3H3,(H2,31,33,34,35,41).

What are the key properties of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 566.63 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).