N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

C19H20N4O3 — CID 66828941

IUPACN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyGKCFJUMKWXRTAL-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 66828941) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID66828941
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyGKCFJUMKWXRTAL-UHFFFAOYSA-N
XLogP2.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

H3B-6545
CID 124091099
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(Furan-3-Yl)-3-Phenyl-2~{h}-Pyrazolo[4,3-C]pyridine
CID 119025602
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777934
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777943
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(5-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777949
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 66828941) is N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is CNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1.
What is the InChIKey of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is GKCFJUMKWXRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 66828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).