1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

C35H35FN8O2 — CID 156829720

About 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (PubChem CID 156829720) has the molecular formula C35H35FN8O2 and a molecular weight of 618.72 g/mol. Its IUPAC name is 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
• PubChem CID: 156829720
• Molecular Formula: C35H35FN8O2
• Molecular Weight: 618.72 g/mol
• Exact Mass: 618.29
• IUPAC Name: 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
• SMILES: Cc1c(-c2cc3ccc(-c4ccc(N5CCNC5=O)cc4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
• InChI: InChI=1S/C35H35FN8O2/c1-19-31(40-44-18-24(14-26(36)32(19)44)34(45)43-17-23-7-11-28(43)30(23)37)29-15-22-6-10-27(39-33(22)42(29)16-20-2-3-20)21-4-8-25(9-5-21)41-13-12-38-35(41)46/h4-6,8-10,14-15,18,20,23,28,30H,2-3,7,11-13,16-17,37H2,1H3,(H,38,46)/t23?,28?,30-/m1/s1
• InChIKey: CNODBLALLSMBRP-FIIBKKJESA-N
• XLogP: 4.97
• TPSA: 113.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.72
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (CID 156829720) is 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is Cc1c(-c2cc3ccc(-c4ccc(N5CCNC5=O)cc4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.

What is the InChIKey of 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?

The InChIKey is CNODBLALLSMBRP-FIIBKKJESA-N. The full InChI is InChI=1S/C35H35FN8O2/c1-19-31(40-44-18-24(14-26(36)32(19)44)34(45)43-17-23-7-11-28(43)30(23)37)29-15-22-6-10-27(39-33(22)42(29)16-20-2-3-20)21-4-8-25(9-5-21)41-13-12-38-35(41)46/h4-6,8-10,14-15,18,20,23,28,30H,2-3,7,11-13,16-17,37H2,1H3,(H,38,46)/t23?,28?,30-/m1/s1.

What are the key properties of 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?

1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one has a molecular weight of 618.72 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 156829720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).