(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C24H21N5O4S — CID 59462565

IUPAC(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccsc2)nc2ccnn12
InChIInChI=1S/C24H21N5O4S/c1-13-15-4-5-18(17(15)3-2-16(13)24(32)33)28-23(31)20-10-19(27-21-6-8-26-29(20)21)22(30)25-11-14-7-9-34-12-14/h2-3,6-10,12,18H,4-5,11H2,1H3,(H,25,30)(H,28,31)(H,32,33)/t18-/m0/s1
InChIKeySPRNSLHFNMMAKU-SFHVURJKSA-N
MW475.53 g/mol
LogP3.14
Rot. Bonds6

About (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59462565) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59462565
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC Name(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccsc2)nc2ccnn12
InChIInChI=1S/C24H21N5O4S/c1-13-15-4-5-18(17(15)3-2-16(13)24(32)33)28-23(31)20-10-19(27-21-6-8-26-29(20)21)22(30)25-11-14-7-9-34-12-14/h2-3,6-10,12,18H,4-5,11H2,1H3,(H,25,30)(H,28,31)(H,32,33)/t18-/m0/s1
InChIKeySPRNSLHFNMMAKU-SFHVURJKSA-N
XLogP3.14
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59462565) is (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccsc2)nc2ccnn12.
What is the InChIKey of (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is SPRNSLHFNMMAKU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-13-15-4-5-18(17(15)3-2-16(13)24(32)33)28-23(31)20-10-19(27-21-6-8-26-29(20)21)22(30)25-11-14-7-9-34-12-14/h2-3,6-10,12,18H,4-5,11H2,1H3,(H,25,30)(H,28,31)(H,32,33)/t18-/m0/s1.
What are the key properties of (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 475.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-[[5-(thiophen-3-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).