N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide

C22H14ClN5O — CID 44570157

IUPACN-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1
InChIInChI=1S/C22H14ClN5O/c23-15-5-7-16(8-6-15)28-13-18-17-3-1-2-4-19(17)25-21(20(18)27-28)26-22(29)14-9-11-24-12-10-14/h1-13H,(H,25,26,29)
InChIKeyHEQDRFVPVBRJKB-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.87
Rot. Bonds3

About N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide

N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide (PubChem CID 44570157) has the molecular formula C22H14ClN5O and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide
PubChem CID44570157
Molecular FormulaC22H14ClN5O
Molecular Weight399.84 g/mol
Exact Mass399.09
IUPAC NameN-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1
InChIInChI=1S/C22H14ClN5O/c23-15-5-7-16(8-6-15)28-13-18-17-3-1-2-4-19(17)25-21(20(18)27-28)26-22(29)14-9-11-24-12-10-14/h1-13H,(H,25,26,29)
InChIKeyHEQDRFVPVBRJKB-UHFFFAOYSA-N
XLogP4.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175094
4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518504
3-(3-chlorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 44524414
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 665225
2-[(6-Chloroquinolin-4-yl)methyl]-5-methyl-3-(3-methylimidazol-4-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 58981093
2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-1H-imidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 58981134
2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-5-methyl-3-(1-methyl-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 58981175
N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 59759608
N-[4-[2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 59759685
N-[5-(4-butanoyl-5-methylpyrazol-1-yl)pyrazin-2-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66575821
1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375563

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide (CID 44570157) is N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide is O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1.
What is the InChIKey of N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide?
The InChIKey is HEQDRFVPVBRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O/c23-15-5-7-16(8-6-15)28-13-18-17-3-1-2-4-19(17)25-21(20(18)27-28)26-22(29)14-9-11-24-12-10-14/h1-13H,(H,25,26,29).
What are the key properties of N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide?
N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 44570157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).