(1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate

C32H39N7O3 — CID 176884011

About (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate

(1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate (PubChem CID 176884011) has the molecular formula C32H39N7O3 and a molecular weight of 569.71 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate
• PubChem CID: 176884011
• Molecular Formula: C32H39N7O3
• Molecular Weight: 569.71 g/mol
• Exact Mass: 569.31
• IUPAC Name: (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate
• SMILES: CC1CC(c2cccc(NC(=O)c3cc(C(NC(=O)OC4(C)CC4)C(C)(C)C)cn4ccnc34)c2)(c2nncn2C)C1
• InChI: InChI=1S/C32H39N7O3/c1-20-16-32(17-20,28-37-34-19-38(28)6)22-8-7-9-23(15-22)35-27(40)24-14-21(18-39-13-12-33-26(24)39)25(30(2,3)4)36-29(41)42-31(5)10-11-31/h7-9,12-15,18-20,25H,10-11,16-17H2,1-6H3,(H,35,40)(H,36,41)
• InChIKey: JSEUGKSKORVUMM-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.71
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?

The IUPAC name of (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate (CID 176884011) is (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate.

What is the SMILES notation for (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?

The canonical SMILES for (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate is CC1CC(c2cccc(NC(=O)c3cc(C(NC(=O)OC4(C)CC4)C(C)(C)C)cn4ccnc34)c2)(c2nncn2C)C1.

What is the InChIKey of (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?

The InChIKey is JSEUGKSKORVUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O3/c1-20-16-32(17-20,28-37-34-19-38(28)6)22-8-7-9-23(15-22)35-27(40)24-14-21(18-39-13-12-33-26(24)39)25(30(2,3)4)36-29(41)42-31(5)10-11-31/h7-9,12-15,18-20,25H,10-11,16-17H2,1-6H3,(H,35,40)(H,36,41).

What are the key properties of (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?

(1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate has a molecular weight of 569.71 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl) N-[2,2-dimethyl-1-[8-[[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate is sourced from PubChem (CID 176884011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).