methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate

C24H24N4O4 — CID 164556330

IUPACmethyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(OC)n2c(C)c(-c3cc4ccc(C(C)=O)nc4n3CC3CC3)nc2c1
InChIInChI=1S/C24H24N4O4/c1-13-22(26-20-10-17(24(30)32-4)11-21(31-3)28(13)20)19-9-16-7-8-18(14(2)29)25-23(16)27(19)12-15-5-6-15/h7-11,15H,5-6,12H2,1-4H3
InChIKeyOCTMSPSUGVXYDR-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.07
Rot. Bonds6

About methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 164556330) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID164556330
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Namemethyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(OC)n2c(C)c(-c3cc4ccc(C(C)=O)nc4n3CC3CC3)nc2c1
InChIInChI=1S/C24H24N4O4/c1-13-22(26-20-10-17(24(30)32-4)11-21(31-3)28(13)20)19-9-16-7-8-18(14(2)29)25-23(16)27(19)12-15-5-6-15/h7-11,15H,5-6,12H2,1-4H3
InChIKeyOCTMSPSUGVXYDR-UHFFFAOYSA-N
XLogP4.07
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-[1-(cyclopropylmethyl)-6-[methyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 164556308
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 164555959
2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde
CID 164555283
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 164555222
(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
tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carbonyl]diazinan-4-yl]carbamate
CID 164555905
N-[2-[7-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide
CID 167135449
(2R)-N-[(1R)-1-[2-[7-[(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-ene-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2-hydroxypropanamide
CID 164556297
N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide
CID 177065571
[(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 164555394
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-1-methylpyrazole-4-carboxamide
CID 167135292
2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methyl-N-[(3S,4R)-4-methylpiperidin-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 164555645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate (CID 164556330) is methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc(OC)n2c(C)c(-c3cc4ccc(C(C)=O)nc4n3CC3CC3)nc2c1.
What is the InChIKey of methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is OCTMSPSUGVXYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-22(26-20-10-17(24(30)32-4)11-21(31-3)28(13)20)19-9-16-7-8-18(14(2)29)25-23(16)27(19)12-15-5-6-15/h7-11,15H,5-6,12H2,1-4H3.
What are the key properties of methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 164556330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).