1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one

C24H25N5O3 — CID 146216653

IUPAC1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(O[C@H]4CCN(C(=O)c5cnn(C)c5)C4)c3)c21
InChIInChI=1S/C24H25N5O3/c1-27-14-18(12-26-27)24(31)29-9-8-19(15-29)32-20-10-17(11-25-13-20)21-5-3-4-16-6-7-22(30)28(2)23(16)21/h3-5,10-14,19H,6-9,15H2,1-2H3/t19-/m0/s1
InChIKeyKGFJGYSBJFEYCL-IBGZPJMESA-N
MW431.50 g/mol
LogP2.68
Rot. Bonds4

About 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 146216653) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID146216653
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(O[C@H]4CCN(C(=O)c5cnn(C)c5)C4)c3)c21
InChIInChI=1S/C24H25N5O3/c1-27-14-18(12-26-27)24(31)29-9-8-19(15-29)32-20-10-17(11-25-13-20)21-5-3-4-16-6-7-22(30)28(2)23(16)21/h3-5,10-14,19H,6-9,15H2,1-2H3/t19-/m0/s1
InChIKeyKGFJGYSBJFEYCL-IBGZPJMESA-N
XLogP2.68
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 146605391
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 123143673
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
1-methyl-6-[8-(3-pyrimidin-2-yloxyazetidine-1-carbonyl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
CID 172554971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 146216653) is 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cccc(-c3cncc(O[C@H]4CCN(C(=O)c5cnn(C)c5)C4)c3)c21.
What is the InChIKey of 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is KGFJGYSBJFEYCL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N5O3/c1-27-14-18(12-26-27)24(31)29-9-8-19(15-29)32-20-10-17(11-25-13-20)21-5-3-4-16-6-7-22(30)28(2)23(16)21/h3-5,10-14,19H,6-9,15H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146216653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).