5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C22H23N7O — CID 123144881

About 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 123144881) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 123144881
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: NC1C=C(c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCCC5)nc4)c3c2)C=NC1
• InChI: InChI=1S/C22H23N7O/c23-16-9-15(11-24-12-16)14-3-5-19-18(10-14)21(28-27-19)22(30)26-17-4-6-20(25-13-17)29-7-1-2-8-29/h3-6,9-11,13,16H,1-2,7-8,12,23H2,(H,26,30)(H,27,28)
• InChIKey: XODFSRBLSAIGTH-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 112.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 123144881) is 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is NC1C=C(c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCCC5)nc4)c3c2)C=NC1.

What is the InChIKey of 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is XODFSRBLSAIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c23-16-9-15(11-24-12-16)14-3-5-19-18(10-14)21(28-27-19)22(30)26-17-4-6-20(25-13-17)29-7-1-2-8-29/h3-6,9-11,13,16H,1-2,7-8,12,23H2,(H,26,30)(H,27,28).

What are the key properties of 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 123144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).