N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide

C29H34ClN7O5 — CID 177332473

IUPACN-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide
SMILESCCOc1cnc(CO[C@@H]2CC[C@H]2NC(=O)n2cnc3c(N(C)Cc4ccc(OC)cc4OC)cc(Cl)nc32)cc1N
InChIInChI=1S/C29H34ClN7O5/c1-5-41-25-13-32-18(10-20(25)31)15-42-23-9-8-21(23)34-29(38)37-16-33-27-22(12-26(30)35-28(27)37)36(2)14-17-6-7-19(39-3)11-24(17)40-4/h6-7,10-13,16,21,23H,5,8-9,14-15H2,1-4H3,(H2,31,32)(H,34,38)/t21-,23-/m1/s1
InChIKeySMAJFWBRCCINDS-FYYLOGMGSA-N
MW596.09 g/mol
LogP4.42
Rot. Bonds11

About N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide

N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide (PubChem CID 177332473) has the molecular formula C29H34ClN7O5 and a molecular weight of 596.09 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide
PubChem CID177332473
Molecular FormulaC29H34ClN7O5
Molecular Weight596.09 g/mol
Exact Mass595.23
IUPAC NameN-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide
SMILESCCOc1cnc(CO[C@@H]2CC[C@H]2NC(=O)n2cnc3c(N(C)Cc4ccc(OC)cc4OC)cc(Cl)nc32)cc1N
InChIInChI=1S/C29H34ClN7O5/c1-5-41-25-13-32-18(10-20(25)31)15-42-23-9-8-21(23)34-29(38)37-16-33-27-22(12-26(30)35-28(27)37)36(2)14-17-6-7-19(39-3)11-24(17)40-4/h6-7,10-13,16,21,23H,5,8-9,14-15H2,1-4H3,(H2,31,32)(H,34,38)/t21-,23-/m1/s1
InChIKeySMAJFWBRCCINDS-FYYLOGMGSA-N
XLogP4.42
TPSA138.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.09
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-[[8-amino-2-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide
CID 177331189
5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide;3-(cyclobutyloxymethyl)-5-(2-methoxyphenyl)aniline
CID 177332377
5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]-N-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-3-carboxamide;2-(cyclobutyloxymethyl)-5-methoxypyridin-4-amine
CID 177331958
N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 126494683
phenyl 5-chloro-7-[(3,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxylate
CID 177331585
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
[2-amino-4-[[1-(5-fluoropyrimidin-2-yl)-2-(methylamino)propoxy]methyl]phenoxy]methanetriol;5-chloro-7-[(2,4-dimethoxyphenyl)methyl-(trihydroxymethyl)amino]imidazo[4,5-b]pyridine-3-carbaldehyde
CID 177331501
methyl (10R,13R)-20-[(2,4-dimethoxyphenyl)methyl-methylamino]-15-oxo-9-oxa-2,4,14,16,18,22-hexazapentacyclo[14.5.2.13,7.010,13.019,23]tetracosa-1(22),3(24),4,6,17,19(23),20-heptaene-5-carboxylate
CID 177331217
2-chloro-6-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(2R,3R)-3-[[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitrophenyl]methoxy]butan-2-yl]purine-9-carboxamide
CID 177331843
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
10-cyclopropyl-18-[(2,4-dimethoxyphenyl)methyl-methylamino]-9-oxa-2,12,14,16,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),15,17(21),18-heptaen-13-one
CID 177331378

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide (CID 177332473) is N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide is CCOc1cnc(CO[C@@H]2CC[C@H]2NC(=O)n2cnc3c(N(C)Cc4ccc(OC)cc4OC)cc(Cl)nc32)cc1N.
What is the InChIKey of N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide?
The InChIKey is SMAJFWBRCCINDS-FYYLOGMGSA-N. The full InChI is InChI=1S/C29H34ClN7O5/c1-5-41-25-13-32-18(10-20(25)31)15-42-23-9-8-21(23)34-29(38)37-16-33-27-22(12-26(30)35-28(27)37)36(2)14-17-6-7-19(39-3)11-24(17)40-4/h6-7,10-13,16,21,23H,5,8-9,14-15H2,1-4H3,(H2,31,32)(H,34,38)/t21-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide?
N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide has a molecular weight of 596.09 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(4-amino-5-ethoxy-2-pyridinyl)methoxy]cyclobutyl]-5-chloro-7-[(2,4-dimethoxyphenyl)methyl-methylamino]imidazo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 177332473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).