1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H21N5O3 — CID 56718588

About 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56718588) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56718588
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)Cc1[nH]nc3ccccc13)CC2
• InChI: InChI=1S/C20H21N5O3/c26-18(9-16-13-3-1-2-4-15(13)21-22-16)24-8-7-17-14(11-24)19(20(27)28)23-25(17)10-12-5-6-12/h1-4,12H,5-11H2,(H,21,22)(H,27,28)
• InChIKey: BJYUVERWMPMURP-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 104.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56718588) is 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)Cc1[nH]nc3ccccc13)CC2.

What is the InChIKey of 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is BJYUVERWMPMURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-18(9-16-13-3-1-2-4-15(13)21-22-16)24-8-7-17-14(11-24)19(20(27)28)23-25(17)10-12-5-6-12/h1-4,12H,5-11H2,(H,21,22)(H,27,28).

What are the key properties of 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56718588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).