(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C21H25N5O2S — CID 8981264

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C21H25N5O2S/c1-4-13(2)26-18(11-12-22-26)24-19(27)14(3)29-21-23-17-8-6-5-7-16(17)20(28)25(21)15-9-10-15/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,27)/t13-,14-/m1/s1
InChIKeyZIESEPQUALBCTE-ZIAGYGMSSA-N
MW411.53 g/mol
LogP4.02
Rot. Bonds7

About (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 8981264) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID8981264
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C21H25N5O2S/c1-4-13(2)26-18(11-12-22-26)24-19(27)14(3)29-21-23-17-8-6-5-7-16(17)20(28)25(21)15-9-10-15/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,27)/t13-,14-/m1/s1
InChIKeyZIESEPQUALBCTE-ZIAGYGMSSA-N
XLogP4.02
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 9329518
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25491438
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
CID 42805883
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25351950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 8981264) is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is ZIESEPQUALBCTE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-4-13(2)26-18(11-12-22-26)24-19(27)14(3)29-21-23-17-8-6-5-7-16(17)20(28)25(21)15-9-10-15/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,27)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 411.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 8981264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).