(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone

C20H21N5O — CID 71980018

IUPAC(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)C1CN(C(=O)c2cc(-n3cccn3)ccn2)c2ccccc2N1
InChIInChI=1S/C20H21N5O/c1-14(2)18-13-24(19-7-4-3-6-16(19)23-18)20(26)17-12-15(8-10-21-17)25-11-5-9-22-25/h3-12,14,18,23H,13H2,1-2H3
InChIKeyCNOMGYOUOSXPAK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.36
Rot. Bonds3

About (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone

(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 71980018) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID71980018
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)C1CN(C(=O)c2cc(-n3cccn3)ccn2)c2ccccc2N1
InChIInChI=1S/C20H21N5O/c1-14(2)18-13-24(19-7-4-3-6-16(19)23-18)20(26)17-12-15(8-10-21-17)25-11-5-9-22-25/h3-12,14,18,23H,13H2,1-2H3
InChIKeyCNOMGYOUOSXPAK-UHFFFAOYSA-N
XLogP3.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone with MolForge

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Related Compounds

2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
5-[[(3R)-1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177312
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
US10889564, Example 1
CID 24819270
US10889564, Example 3
CID 42216319
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
CID 42288156
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 42606575
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone (CID 71980018) is (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone is CC(C)C1CN(C(=O)c2cc(-n3cccn3)ccn2)c2ccccc2N1.
What is the InChIKey of (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is CNOMGYOUOSXPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)18-13-24(19-7-4-3-6-16(19)23-18)20(26)17-12-15(8-10-21-17)25-11-5-9-22-25/h3-12,14,18,23H,13H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone?
(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 71980018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).