2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C34H41FN8O3 — CID 164821459

About 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 164821459) has the molecular formula C34H41FN8O3 and a molecular weight of 628.75 g/mol. Its IUPAC name is 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 164821459
• Molecular Formula: C34H41FN8O3
• Molecular Weight: 628.75 g/mol
• Exact Mass: 628.33
• IUPAC Name: 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: COc1cc(C(=O)N2C[C@H](N)CCN2C)cc2nc(-c3cc4ccc([C@H](C)C5C6(F)CC5(C(N)=O)C6)nc4n3CC3CC3)c(C)n12
• InChI: InChI=1S/C34H41FN8O3/c1-18(29-33(32(37)45)16-34(29,35)17-33)24-8-7-21-11-25(41(30(21)38-24)14-20-5-6-20)28-19(2)43-26(39-28)12-22(13-27(43)46-4)31(44)42-15-23(36)9-10-40(42)3/h7-8,11-13,18,20,23,29H,5-6,9-10,14-17,36H2,1-4H3,(H2,37,45)/t18-,23+,29?,33?,34?/m0/s1
• InChIKey: OURALYYATHFWJU-JUXHBRNXSA-N
• XLogP: 3.81
• TPSA: 137.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.75
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 164821459) is 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is COc1cc(C(=O)N2C[C@H](N)CCN2C)cc2nc(-c3cc4ccc([C@H](C)C5C6(F)CC5(C(N)=O)C6)nc4n3CC3CC3)c(C)n12.

What is the InChIKey of 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is OURALYYATHFWJU-JUXHBRNXSA-N. The full InChI is InChI=1S/C34H41FN8O3/c1-18(29-33(32(37)45)16-34(29,35)17-33)24-8-7-21-11-25(41(30(21)38-24)14-20-5-6-20)28-19(2)43-26(39-28)12-22(13-27(43)46-4)31(44)42-15-23(36)9-10-40(42)3/h7-8,11-13,18,20,23,29H,5-6,9-10,14-17,36H2,1-4H3,(H2,37,45)/t18-,23+,29?,33?,34?/m0/s1.

What are the key properties of 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 628.75 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[2-[7-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 164821459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).