tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate

C32H41N7O4 — CID 164555905

About tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate

tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate (PubChem CID 164555905) has the molecular formula C32H41N7O4 and a molecular weight of 587.73 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate
• PubChem CID: 164555905
• Molecular Formula: C32H41N7O4
• Molecular Weight: 587.73 g/mol
• Exact Mass: 587.32
• IUPAC Name: tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate
• SMILES: CCc1ccc2cc(-c3nc4cc(C(=O)N5CC(NC(=O)OC(C)(C)C)CCN5)cc(OC)n4c3C)n(CC3CC3)c2n1
• InChI: InChI=1S/C32H41N7O4/c1-7-23-11-10-21-14-25(37(29(21)34-23)17-20-8-9-20)28-19(2)39-26(36-28)15-22(16-27(39)42-6)30(40)38-18-24(12-13-33-38)35-31(41)43-32(3,4)5/h10-11,14-16,20,24,33H,7-9,12-13,17-18H2,1-6H3,(H,35,41)
• InChIKey: JEACCTFIOGGRGB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 115.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.73
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate (CID 164555905) is tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate is CCc1ccc2cc(-c3nc4cc(C(=O)N5CC(NC(=O)OC(C)(C)C)CCN5)cc(OC)n4c3C)n(CC3CC3)c2n1.

What is the InChIKey of tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate?

The InChIKey is JEACCTFIOGGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O4/c1-7-23-11-10-21-14-25(37(29(21)34-23)17-20-8-9-20)28-19(2)39-26(36-28)15-22(16-27(39)42-6)30(40)38-18-24(12-13-33-38)35-31(41)43-32(3,4)5/h10-11,14-16,20,24,33H,7-9,12-13,17-18H2,1-6H3,(H,35,41).

What are the key properties of tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate?

tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate has a molecular weight of 587.73 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate is sourced from PubChem (CID 164555905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).