N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C28H25N7O3 — CID 122630495

About N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 122630495) has the molecular formula C28H25N7O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 122630495
• Molecular Formula: C28H25N7O3
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.20
• IUPAC Name: N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: COc1cc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)ccn1
• InChI: InChI=1S/C28H25N7O3/c1-37-26-14-22(8-9-30-26)38-25-7-5-20(16-31-25)32-28(36)27-23-13-18(4-6-24(23)33-34-27)19-12-21(17-29-15-19)35-10-2-3-11-35/h4-9,12-17H,2-3,10-11H2,1H3,(H,32,36)(H,33,34)
• InChIKey: ZHHVUTRTFKFZIH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 122630495) is N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is COc1cc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)ccn1.

What is the InChIKey of N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is ZHHVUTRTFKFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O3/c1-37-26-14-22(8-9-30-26)38-25-7-5-20(16-31-25)32-28(36)27-23-13-18(4-6-24(23)33-34-27)19-12-21(17-29-15-19)35-10-2-3-11-35/h4-9,12-17H,2-3,10-11H2,1H3,(H,32,36)(H,33,34).

What are the key properties of N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).