3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

C24H26N6O2S — CID 55444681

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESCSCCC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1nnc2ccccn12
InChIInChI=1S/C24H26N6O2S/c1-33-15-13-19(23-28-27-21-8-4-5-14-29(21)23)26-22(31)12-11-20-25-18-7-3-2-6-17(18)24(32)30(20)16-9-10-16/h2-8,14,16,19H,9-13,15H2,1H3,(H,26,31)
InChIKeyVAUWFWZNSSVNJK-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.32
Rot. Bonds9

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (PubChem CID 55444681) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
PubChem CID55444681
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESCSCCC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1nnc2ccccn12
InChIInChI=1S/C24H26N6O2S/c1-33-15-13-19(23-28-27-21-8-4-5-14-29(21)23)26-22(31)12-11-20-25-18-7-3-2-6-17(18)24(32)30(20)16-9-10-16/h2-8,14,16,19H,9-13,15H2,1H3,(H,26,31)
InChIKeyVAUWFWZNSSVNJK-UHFFFAOYSA-N
XLogP3.32
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide with MolForge

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Related Compounds

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71828310
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 125432049
3-(3-chlorophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 51278371
4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 86207201
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 124784113
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide
CID 51279614
3-(3-acetylindol-1-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 171145150
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 55453538
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (CID 55444681) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is CSCCC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1nnc2ccccn12.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The InChIKey is VAUWFWZNSSVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-33-15-13-19(23-28-27-21-8-4-5-14-29(21)23)26-22(31)12-11-20-25-18-7-3-2-6-17(18)24(32)30(20)16-9-10-16/h2-8,14,16,19H,9-13,15H2,1H3,(H,26,31).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide has a molecular weight of 462.58 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is sourced from PubChem (CID 55444681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).