[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone

C23H20N4O2 — CID 46989139

IUPAC[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone
SMILESCOc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H20N4O2/c1-29-21-9-5-3-7-17(21)22-18-14-27(13-11-20(18)25-26-22)23(28)16-10-12-24-19-8-4-2-6-15(16)19/h2-10,12H,11,13-14H2,1H3,(H,25,26)
InChIKeyQNMPSQUPVKBGRX-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.83
Rot. Bonds3

About [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone

[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone (PubChem CID 46989139) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone
PubChem CID46989139
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone
SMILESCOc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H20N4O2/c1-29-21-9-5-3-7-17(21)22-18-14-27(13-11-20(18)25-26-22)23(28)16-10-12-24-19-8-4-2-6-15(16)19/h2-10,12H,11,13-14H2,1H3,(H,25,26)
InChIKeyQNMPSQUPVKBGRX-UHFFFAOYSA-N
XLogP3.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone with MolForge

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Related Compounds

1H-indazol-3-yl-[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46996698
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
CID 46994611
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535893
(5-fluoro-2-methoxyphenyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042269
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 31043479

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone?
The IUPAC name of [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone (CID 46989139) is [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone is COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccnc3ccccc13)CC2.
What is the InChIKey of [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone?
The InChIKey is QNMPSQUPVKBGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-21-9-5-3-7-17(21)22-18-14-27(13-11-20(18)25-26-22)23(28)16-10-12-24-19-8-4-2-6-15(16)19/h2-10,12H,11,13-14H2,1H3,(H,25,26).
What are the key properties of [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone?
[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone has a molecular weight of 384.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 46989139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).