[(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone

C27H31N7O2 — CID 155131901

About [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone

[(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 155131901) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone
• PubChem CID: 155131901
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone
• SMILES: COCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@H]4[C@H]3N)cnc21
• InChI: InChI=1S/C27H31N7O2/c1-36-10-9-32-25-21(11-19(13-30-25)27(35)34-15-18-6-7-20(18)23(34)28)31-26(32)22-12-17-3-2-8-29-24(17)33(22)14-16-4-5-16/h2-3,8,11-13,16,18,20,23H,4-7,9-10,14-15,28H2,1H3/t18-,20-,23+/m1/s1
• InChIKey: NLTZFFIVXDKLOS-XQFWAAQXSA-N
• XLogP: 3.27
• TPSA: 104.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone?

The IUPAC name of [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 155131901) is [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone.

What is the SMILES notation for [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone?

The canonical SMILES for [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone is COCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@H]4[C@H]3N)cnc21.

What is the InChIKey of [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone?

The InChIKey is NLTZFFIVXDKLOS-XQFWAAQXSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-36-10-9-32-25-21(11-19(13-30-25)27(35)34-15-18-6-7-20(18)23(34)28)31-26(32)22-12-17-3-2-8-29-24(17)33(22)14-16-4-5-16/h2-3,8,11-13,16,18,20,23H,4-7,9-10,14-15,28H2,1H3/t18-,20-,23+/m1/s1.

What are the key properties of [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone?

[(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 155131901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).