6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid

C23H24ClN5O2 — CID 169154513

IUPAC6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1cn2c(CC)nc3c([C@@H](C)Nc4ccc(Cl)nc4C(=O)O)cc(C)cc3c2n1
InChIInChI=1S/C23H24ClN5O2/c1-5-14-11-29-19(6-2)28-20-15(9-12(3)10-16(20)22(29)26-14)13(4)25-17-7-8-18(24)27-21(17)23(30)31/h7-11,13,25H,5-6H2,1-4H3,(H,30,31)/t13-/m1/s1
InChIKeyNROKVEFYQBCWDO-CYBMUJFWSA-N
MW437.93 g/mol
LogP5.24
Rot. Bonds6

About 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid

6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 169154513) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
PubChem CID169154513
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1cn2c(CC)nc3c([C@@H](C)Nc4ccc(Cl)nc4C(=O)O)cc(C)cc3c2n1
InChIInChI=1S/C23H24ClN5O2/c1-5-14-11-29-19(6-2)28-20-15(9-12(3)10-16(20)22(29)26-14)13(4)25-17-7-8-18(24)27-21(17)23(30)31/h7-11,13,25H,5-6H2,1-4H3,(H,30,31)/t13-/m1/s1
InChIKeyNROKVEFYQBCWDO-CYBMUJFWSA-N
XLogP5.24
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287752
3-[5-chloro-2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-1H-indole-7-carboxylic acid
CID 162672334
6-chloro-3-[[(1R)-1-(5-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169154824
6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155217
6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155292
6-Chloro-3-[1-[5-(3-cyanophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-7-yl]ethylamino]pyridine-2-carboxylic acid
CID 170344393
6-(2-Aminopyrimidin-4-yl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 134372852
1-(8-Chloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid
CID 134372868
US10301284, Example 111
CID 138658478
2-[2-[2-(4-Chlorophenyl)phenyl]-6-quinolyl]-3-cyclohexyl-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 5276109
6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 171121786
1-[2-(2-Morpholin-4-ylethylamino)-4-pyridinyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 137946188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (CID 169154513) is 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is CCc1cn2c(CC)nc3c([C@@H](C)Nc4ccc(Cl)nc4C(=O)O)cc(C)cc3c2n1.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is NROKVEFYQBCWDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-5-14-11-29-19(6-2)28-20-15(9-12(3)10-16(20)22(29)26-14)13(4)25-17-7-8-18(24)27-21(17)23(30)31/h7-11,13,25H,5-6H2,1-4H3,(H,30,31)/t13-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 437.93 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 169154513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).