(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

C21H22N4O — CID 97260504

IUPAC(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21
InChIInChI=1S/C21H22N4O/c1-15-14-21(2,3)25(18-10-5-4-8-16(15)18)20(26)17-9-6-11-19(23-17)24-13-7-12-22-24/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeyGPKCJUGOAHTCPA-OAHLLOKOSA-N
MW346.43 g/mol
LogP4.20
Rot. Bonds2

About (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (PubChem CID 97260504) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.

Molecular Properties

Compound Name(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
PubChem CID97260504
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21
InChIInChI=1S/C21H22N4O/c1-15-14-21(2,3)25(18-10-5-4-8-16(15)18)20(26)17-9-6-11-19(23-17)24-13-7-12-22-24/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeyGPKCJUGOAHTCPA-OAHLLOKOSA-N
XLogP4.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The IUPAC name of (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (CID 97260504) is (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.
What is the SMILES notation for (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The canonical SMILES for (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is C[C@@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21.
What is the InChIKey of (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The InChIKey is GPKCJUGOAHTCPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-14-21(2,3)25(18-10-5-4-8-16(15)18)20(26)17-9-6-11-19(23-17)24-13-7-12-22-24/h4-13,15H,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is sourced from PubChem (CID 97260504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).