3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C21H20N6O2 — CID 154753034

IUPAC3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC4CCc5[nH]ncc5C4)c3)cc21
InChIInChI=1S/C21H20N6O2/c1-27-18-9-14(10-22-19(18)25-21(27)29)12-3-2-4-13(7-12)20(28)24-16-5-6-17-15(8-16)11-23-26-17/h2-4,7,9-11,16H,5-6,8H2,1H3,(H,23,26)(H,24,28)(H,22,25,29)
InChIKeyMQRIMBIAXCCVBH-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.94
Rot. Bonds3

About 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 154753034) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID154753034
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC4CCc5[nH]ncc5C4)c3)cc21
InChIInChI=1S/C21H20N6O2/c1-27-18-9-14(10-22-19(18)25-21(27)29)12-3-2-4-13(7-12)20(28)24-16-5-6-17-15(8-16)11-23-26-17/h2-4,7,9-11,16H,5-6,8H2,1H3,(H,23,26)(H,24,28)(H,22,25,29)
InChIKeyMQRIMBIAXCCVBH-UHFFFAOYSA-N
XLogP1.94
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56951514
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
CID 56951391
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154839958
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 146127384
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 97137408
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 75453858
6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154807071

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 154753034) is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC4CCc5[nH]ncc5C4)c3)cc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is MQRIMBIAXCCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-27-18-9-14(10-22-19(18)25-21(27)29)12-3-2-4-13(7-12)20(28)24-16-5-6-17-15(8-16)11-23-26-17/h2-4,7,9-11,16H,5-6,8H2,1H3,(H,23,26)(H,24,28)(H,22,25,29).
What are the key properties of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 388.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 154753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).