2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide

C24H25N5O3 — CID 118075963

IUPAC2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CC[C@@H]1C
InChIInChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31)/t14-/m0/s1
InChIKeyNRRPAPPCQYATEH-AWEZNQCLSA-N
MW431.50 g/mol
LogP3.86
Rot. Bonds5

About 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide

2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 118075963) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
PubChem CID118075963
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CC[C@@H]1C
InChIInChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31)/t14-/m0/s1
InChIKeyNRRPAPPCQYATEH-AWEZNQCLSA-N
XLogP3.86
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[7-(1-Propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241965
(1,3-Dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561502
[1,3-Dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561614
6-ethyl-1,2-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-4-oxoquinoline-3-carboxamide
CID 164623091
2-[1,3-Dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile
CID 71561499
4-[1,3-Dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide
CID 71561501
2-[4-methoxy-2-(1H-pyrazol-1-yl)phenyl]-5-(piperidin-1-ylcarbonyl)pyridine
CID 74249634
[5-[(5-Fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 25126845
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 25126847
(S)-cyclopropyl(5-(6-fluoropyridin-2-yloxy)-2-methyl-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 118075473
cyclopropyl-[5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075475
cyclopropyl-[(2S)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-5-[3-(trifluoromethyl)pyridin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075546

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide (CID 118075963) is 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CC[C@@H]1C.
What is the InChIKey of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is NRRPAPPCQYATEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 118075963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).