(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C24H20N6O — CID 40559445

IUPAC(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C24H20N6O/c25-12-17-21(18-14-28-29-23(18)15-6-2-1-3-7-15)22-19(9-4-10-20(22)31)30(24(17)26)16-8-5-11-27-13-16/h1-3,5-8,11,13-14,21H,4,9-10,26H2,(H,28,29)/t21-/m0/s1
InChIKeyATTQIAWVJJQYHL-NRFANRHFSA-N
MW408.47 g/mol
LogP3.78
Rot. Bonds3

About (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 40559445) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID40559445
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C24H20N6O/c25-12-17-21(18-14-28-29-23(18)15-6-2-1-3-7-15)22-19(9-4-10-20(22)31)30(24(17)26)16-8-5-11-27-13-16/h1-3,5-8,11,13-14,21H,4,9-10,26H2,(H,28,29)/t21-/m0/s1
InChIKeyATTQIAWVJJQYHL-NRFANRHFSA-N
XLogP3.78
TPSA111.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4R)-2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249117
2-amino-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3433697
2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4599331
2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4187212
(4S)-2-amino-4-(4-nitrophenyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1238202
2-amino-1-(5-bromo-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3787127
(4S)-2-amino-4-(2,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1287337
4-(2-amino-3-cyano-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)benzenesulfonamide
CID 4691345
2-amino-4-(2-chlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4170774
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3483653
2-amino-4-(2-methylphenyl)-5-oxo-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23969940
2-amino-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4088101

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 40559445) is (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cn[nH]c1-c1ccccc1.
What is the InChIKey of (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ATTQIAWVJJQYHL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20N6O/c25-12-17-21(18-14-28-29-23(18)15-6-2-1-3-7-15)22-19(9-4-10-20(22)31)30(24(17)26)16-8-5-11-27-13-16/h1-3,5-8,11,13-14,21H,4,9-10,26H2,(H,28,29)/t21-/m0/s1.
What are the key properties of (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 408.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 40559445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).