[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone

C32H41N7O3 — CID 155131909

IUPAC[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCCC1CN(C(=O)c2cnc3c(c2)nc(-c2cc4ccc(OC)nc4n2CC)n3CC2CC3(CCCO3)C2)C(C)[C@@H]1N
InChIInChI=1S/C32H41N7O3/c1-5-21-18-38(19(3)27(21)33)31(40)23-12-24-29(34-16-23)39(17-20-14-32(15-20)10-7-11-42-32)30(35-24)25-13-22-8-9-26(41-4)36-28(22)37(25)6-2/h8-9,12-13,16,19-21,27H,5-7,10-11,14-15,17-18,33H2,1-4H3/t19?,20?,21?,27-,32?/m0/s1
InChIKeyJWBAPEPYVIPYIP-BAJPBUPVSA-N
MW571.73 g/mol
LogP4.63
Rot. Bonds7

About [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone

[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 155131909) has the molecular formula C32H41N7O3 and a molecular weight of 571.73 g/mol. Its IUPAC name is [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID155131909
Molecular FormulaC32H41N7O3
Molecular Weight571.73 g/mol
Exact Mass571.33
IUPAC Name[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCCC1CN(C(=O)c2cnc3c(c2)nc(-c2cc4ccc(OC)nc4n2CC)n3CC2CC3(CCCO3)C2)C(C)[C@@H]1N
InChIInChI=1S/C32H41N7O3/c1-5-21-18-38(19(3)27(21)33)31(40)23-12-24-29(34-16-23)39(17-20-14-32(15-20)10-7-11-42-32)30(35-24)25-13-22-8-9-26(41-4)36-28(22)37(25)6-2/h8-9,12-13,16,19-21,27H,5-7,10-11,14-15,17-18,33H2,1-4H3/t19?,20?,21?,27-,32?/m0/s1
InChIKeyJWBAPEPYVIPYIP-BAJPBUPVSA-N
XLogP4.63
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 155131909) is [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone is CCC1CN(C(=O)c2cnc3c(c2)nc(-c2cc4ccc(OC)nc4n2CC)n3CC2CC3(CCCO3)C2)C(C)[C@@H]1N.
What is the InChIKey of [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is JWBAPEPYVIPYIP-BAJPBUPVSA-N. The full InChI is InChI=1S/C32H41N7O3/c1-5-21-18-38(19(3)27(21)33)31(40)23-12-24-29(34-16-23)39(17-20-14-32(15-20)10-7-11-42-32)30(35-24)25-13-22-8-9-26(41-4)36-28(22)37(25)6-2/h8-9,12-13,16,19-21,27H,5-7,10-11,14-15,17-18,33H2,1-4H3/t19?,20?,21?,27-,32?/m0/s1.
What are the key properties of [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
[(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 571.73 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-4-ethyl-2-methylpyrrolidin-1-yl]-[2-(1-ethyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 155131909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).