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

C24H27N5O5S — CID 164556308

IUPACmethyl 2-[1-(cyclopropylmethyl)-6-[methyl(methylsulfonyl)amino]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(N(C)S(C)(=O)=O)nc4n3CC3CC3)nc2c1
InChIInChI=1S/C24H27N5O5S/c1-14-22(25-20-11-17(24(30)34-4)12-21(33-3)29(14)20)18-10-16-8-9-19(27(2)35(5,31)32)26-23(16)28(18)13-15-6-7-15/h8-12,15H,6-7,13H2,1-5H3
InChIKeyHMOYMOOJTYRUTI-UHFFFAOYSA-N
MW497.58 g/mol
LogP3.26
Rot. Bonds7

About 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

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 (PubChem CID 164556308) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 2-[1-(cyclopropylmethyl)-6-[methyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID164556308
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Namemethyl 2-[1-(cyclopropylmethyl)-6-[methyl(methylsulfonyl)amino]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(N(C)S(C)(=O)=O)nc4n3CC3CC3)nc2c1
InChIInChI=1S/C24H27N5O5S/c1-14-22(25-20-11-17(24(30)34-4)12-21(33-3)29(14)20)18-10-16-8-9-19(27(2)35(5,31)32)26-23(16)28(18)13-15-6-7-15/h8-12,15H,6-7,13H2,1-5H3
InChIKeyHMOYMOOJTYRUTI-UHFFFAOYSA-N
XLogP3.26
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
N-[2-[7-[(3R,4R)-3-amino-4-fluoropyrrolidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555250
N-[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]-N-(difluoromethyl)methanesulfonamide
CID 164555797
N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 164555566
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
N-[2-[7-[(1S,2S,5S)-2-amino-8-azabicyclo[3.2.1]octane-8-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555814
N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555840
N-[1-(cyclopropylmethyl)-2-[7-[(1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555215
N-[1-(cyclopropylmethyl)-2-[7-[(1S,6S)-3,7-diazabicyclo[4.2.0]octane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164556278
N-[2-[7-[(1R,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 167135086
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cc(OC)n2c(C)c(-c3cc4ccc(N(C)S(C)(=O)=O)nc4n3CC3CC3)nc2c1.
What is the InChIKey of 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?
The InChIKey is HMOYMOOJTYRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-14-22(25-20-11-17(24(30)34-4)12-21(33-3)29(14)20)18-10-16-8-9-19(27(2)35(5,31)32)26-23(16)28(18)13-15-6-7-15/h8-12,15H,6-7,13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 497.58 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164556308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).