7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one

C17H18N4O — CID 56720957

IUPAC7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCc4[nH]ncc4C3)c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-11-2-3-12-7-13(17(22)19-16(12)6-11)9-21-5-4-15-14(10-21)8-18-20-15/h2-3,6-8H,4-5,9-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyAWNHMWXDLJZJIL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.12
Rot. Bonds2

About 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one

7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one (PubChem CID 56720957) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one
PubChem CID56720957
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCc4[nH]ncc4C3)c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-11-2-3-12-7-13(17(22)19-16(12)6-11)9-21-5-4-15-14(10-21)8-18-20-15/h2-3,6-8H,4-5,9-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyAWNHMWXDLJZJIL-UHFFFAOYSA-N
XLogP2.12
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one (CID 56720957) is 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one is Cc1ccc2cc(CN3CCc4[nH]ncc4C3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one?
The InChIKey is AWNHMWXDLJZJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-2-3-12-7-13(17(22)19-16(12)6-11)9-21-5-4-15-14(10-21)8-18-20-15/h2-3,6-8H,4-5,9-10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one?
7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one has a molecular weight of 294.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 56720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).