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

C29H37N7O4S — CID 167135449

IUPACN-[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
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)[C@H]2C)cc2nc(-c3cc4ccc(N(C)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C29H37N7O4S/c1-17-22(30)7-6-12-34(17)29(37)21-14-25-31-27(18(2)36(25)26(15-21)40-4)23-13-20-10-11-24(33(3)41(5,38)39)32-28(20)35(23)16-19-8-9-19/h10-11,13-15,17,19,22H,6-9,12,16,30H2,1-5H3/t17-,22-/m1/s1
InChIKeySHFXDMLCNDCAMF-VGOFRKELSA-N
MW579.73 g/mol
LogP3.43
Rot. Bonds7

About 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

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 (PubChem CID 167135449) has the molecular formula C29H37N7O4S and a molecular weight of 579.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167135449
Molecular FormulaC29H37N7O4S
Molecular Weight579.73 g/mol
Exact Mass579.26
IUPAC NameN-[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
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)[C@H]2C)cc2nc(-c3cc4ccc(N(C)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C29H37N7O4S/c1-17-22(30)7-6-12-34(17)29(37)21-14-25-31-27(18(2)36(25)26(15-21)40-4)23-13-20-10-11-24(33(3)41(5,38)39)32-28(20)35(23)16-19-8-9-19/h10-11,13-15,17,19,22H,6-9,12,16,30H2,1-5H3/t17-,22-/m1/s1
InChIKeySHFXDMLCNDCAMF-VGOFRKELSA-N
XLogP3.43
TPSA128.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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
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-[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
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-[(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
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
(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
N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555698
N-[(1R)-1-[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]ethyl]-N-methylbenzamide
CID 164556142

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)N2CCC[C@@H](N)[C@H]2C)cc2nc(-c3cc4ccc(N(C)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12.
What is the InChIKey of 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?
The InChIKey is SHFXDMLCNDCAMF-VGOFRKELSA-N. The full InChI is InChI=1S/C29H37N7O4S/c1-17-22(30)7-6-12-34(17)29(37)21-14-25-31-27(18(2)36(25)26(15-21)40-4)23-13-20-10-11-24(33(3)41(5,38)39)32-28(20)35(23)16-19-8-9-19/h10-11,13-15,17,19,22H,6-9,12,16,30H2,1-5H3/t17-,22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 579.73 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167135449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).