propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

C24H27N5O3 — CID 118079884

IUPACpropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cnn(Cc4cccnc4)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-8-7-20(10-23(22)28)21-12-26-27(15-21)14-19-6-5-9-25-11-19/h5-12,15-17H,13-14H2,1-4H3
InChIKeyHIBMIMONLFLZSC-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.10
Rot. Bonds4

About propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 118079884) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID118079884
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namepropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cnn(Cc4cccnc4)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-8-7-20(10-23(22)28)21-12-26-27(15-21)14-19-6-5-9-25-11-19/h5-12,15-17H,13-14H2,1-4H3
InChIKeyHIBMIMONLFLZSC-UHFFFAOYSA-N
XLogP4.10
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate with MolForge

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Related Compounds

1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078883
1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079652
3-{4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-oxazolidin-2-one
CID 118660893
Benzothiazepine analog 10
CID 118079253
(2-fluoro-2-methylpropyl) (3S)-4-acetyl-3-methyl-7-[1-(oxetan-3-yl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
CID 118079255
ethyl 4-{1-[5-methyl-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45199511
(E)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568724
(E)-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568729
(E)-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568738
Tert-butyl 4-[6-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264016
Tert-butyl 4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264211
Tert-butyl 4-[6-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264373

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (CID 118079884) is propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is CC(=O)N1c2ccc(-c3cnn(Cc4cccnc4)c3)cc2N(C(=O)OC(C)C)CC1C.
What is the InChIKey of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is HIBMIMONLFLZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-8-7-20(10-23(22)28)21-12-26-27(15-21)14-19-6-5-9-25-11-19/h5-12,15-17H,13-14H2,1-4H3.
What are the key properties of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 118079884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).