(2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide

C30H37N7O4 — CID 167135281

About (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide

(2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide (PubChem CID 167135281) has the molecular formula C30H37N7O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide
• PubChem CID: 167135281
• Molecular Formula: C30H37N7O4
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.29
• IUPAC Name: (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide
• SMILES: CNC(=O)[C@@H](C)Oc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc(OC)n4c3C)n(CC3CC3)c2n1
• InChI: InChI=1S/C30H37N7O4/c1-17-27(33-24-13-21(14-26(40-4)37(17)24)30(39)35-11-5-6-22(31)16-35)23-12-20-9-10-25(41-18(2)29(38)32-3)34-28(20)36(23)15-19-7-8-19/h9-10,12-14,18-19,22H,5-8,11,15-16,31H2,1-4H3,(H,32,38)/t18-,22-/m1/s1
• InChIKey: VKFKWQPGNHSWDO-XMSQKQJNSA-N
• XLogP: 3.15
• TPSA: 129.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide?

The IUPAC name of (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide (CID 167135281) is (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide.

What is the SMILES notation for (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide?

The canonical SMILES for (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide is CNC(=O)[C@@H](C)Oc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc(OC)n4c3C)n(CC3CC3)c2n1.

What is the InChIKey of (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide?

The InChIKey is VKFKWQPGNHSWDO-XMSQKQJNSA-N. The full InChI is InChI=1S/C30H37N7O4/c1-17-27(33-24-13-21(14-26(40-4)37(17)24)30(39)35-11-5-6-22(31)16-35)23-12-20-9-10-25(41-18(2)29(38)32-3)34-28(20)36(23)15-19-7-8-19/h9-10,12-14,18-19,22H,5-8,11,15-16,31H2,1-4H3,(H,32,38)/t18-,22-/m1/s1.

What are the key properties of (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide?

(2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide has a molecular weight of 559.67 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide is sourced from PubChem (CID 167135281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).