7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one

C16H14ClN5O — CID 172525507

IUPAC7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one
SMILESC[C@H](c1ccn[nH]1)n1c(=O)c2nn(C)cc2c2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN5O/c1-9(13-5-6-18-19-13)22-14-7-10(17)3-4-11(14)12-8-21(2)20-15(12)16(22)23/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyOLSBQXHCRNREPR-SECBINFHSA-N
MW327.78 g/mol
LogP2.87
Rot. Bonds2

About 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one

7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525507) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one
PubChem CID172525507
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one
SMILESC[C@H](c1ccn[nH]1)n1c(=O)c2nn(C)cc2c2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN5O/c1-9(13-5-6-18-19-13)22-14-7-10(17)3-4-11(14)12-8-21(2)20-15(12)16(22)23/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyOLSBQXHCRNREPR-SECBINFHSA-N
XLogP2.87
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one with MolForge

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Related Compounds

7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one
CID 172525187
2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525402
2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
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5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
CID 1205622
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308
2-[(1S)-1-aminoethyl]-7-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575859
5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971531
1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881392
7-chloro-2-ethyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525162
7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
1-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
CID 1486544
7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
CID 113316504

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one (CID 172525507) is 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one is C[C@H](c1ccn[nH]1)n1c(=O)c2nn(C)cc2c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is OLSBQXHCRNREPR-SECBINFHSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9(13-5-6-18-19-13)22-14-7-10(17)3-4-11(14)12-8-21(2)20-15(12)16(22)23/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one?
7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 327.78 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).