tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate

C32H35N7O3 — CID 138578703

About tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate (PubChem CID 138578703) has the molecular formula C32H35N7O3 and a molecular weight of 565.68 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
• PubChem CID: 138578703
• Molecular Formula: C32H35N7O3
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.28
• IUPAC Name: tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3ccccc3n2Cc2cnccn2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12
• InChI: InChI=1S/C32H35N7O3/c1-21-29(27-16-22-8-5-6-10-26(22)39(27)20-25-18-33-12-13-34-25)36-28-17-23(11-15-38(21)28)30(40)37-14-7-9-24(19-37)35-31(41)42-32(2,3)4/h5-6,8,10-13,15-18,24H,7,9,14,19-20H2,1-4H3,(H,35,41)/t24-/m1/s1
• InChIKey: SNRQHCKKVHXRCW-XMMPIXPASA-N
• XLogP: 5.23
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate (CID 138578703) is tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate is Cc1c(-c2cc3ccccc3n2Cc2cnccn2)nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn12.

What is the InChIKey of tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate?

The InChIKey is SNRQHCKKVHXRCW-XMMPIXPASA-N. The full InChI is InChI=1S/C32H35N7O3/c1-21-29(27-16-22-8-5-6-10-26(22)39(27)20-25-18-33-12-13-34-25)36-28-17-23(11-15-38(21)28)30(40)37-14-7-9-24(19-37)35-31(41)42-32(2,3)4/h5-6,8,10-13,15-18,24H,7,9,14,19-20H2,1-4H3,(H,35,41)/t24-/m1/s1.

What are the key properties of tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate?

tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate has a molecular weight of 565.68 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 138578703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).