(1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C26H21N7O4 — CID 24871903

About (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

(1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 24871903) has the molecular formula C26H21N7O4 and a molecular weight of 495.50 g/mol. Its IUPAC name is (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

• Compound Name: (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
• PubChem CID: 24871903
• Molecular Formula: C26H21N7O4
• Molecular Weight: 495.50 g/mol
• Exact Mass: 495.17
• IUPAC Name: (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
• SMILES: Cc1c(C(=O)O)ccc2c1CC[C@H]2NC(=O)c1cc(C(=O)NCc2ccnc(C#N)c2)nc2ccnn12
• InChI: InChI=1S/C26H21N7O4/c1-14-17-4-5-20(19(17)3-2-18(14)26(36)37)32-25(35)22-11-21(31-23-7-9-30-33(22)23)24(34)29-13-15-6-8-28-16(10-15)12-27/h2-3,6-11,20H,4-5,13H2,1H3,(H,29,34)(H,32,35)(H,36,37)/t20-/m1/s1
• InChIKey: LSPUCKZFROYOJB-HXUWFJFHSA-N
• XLogP: 2.35
• TPSA: 162.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.50
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?

The IUPAC name of (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 24871903) is (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

What is the SMILES notation for (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?

The canonical SMILES for (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@H]2NC(=O)c1cc(C(=O)NCc2ccnc(C#N)c2)nc2ccnn12.

What is the InChIKey of (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?

The InChIKey is LSPUCKZFROYOJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H21N7O4/c1-14-17-4-5-20(19(17)3-2-18(14)26(36)37)32-25(35)22-11-21(31-23-7-9-30-33(22)23)24(34)29-13-15-6-8-28-16(10-15)12-27/h2-3,6-11,20H,4-5,13H2,1H3,(H,29,34)(H,32,35)(H,36,37)/t20-/m1/s1.

What are the key properties of (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?

(1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 495.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 24871903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).