3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide

C23H21N9O2 — CID 177283478

About 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide

3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 177283478) has the molecular formula C23H21N9O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 177283478
• Molecular Formula: C23H21N9O2
• Molecular Weight: 455.48 g/mol
• Exact Mass: 455.18
• IUPAC Name: 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OCCc3ccn[nH]3)n2)nc(C(N)=O)c1N
• InChI: InChI=1S/C23H21N9O2/c1-12-2-3-16-15(11-28-32-16)19(12)14-10-18(29-21(20(14)24)22(25)33)17-5-7-26-23(30-17)34-9-6-13-4-8-27-31-13/h2-5,7-8,10-11H,6,9,24H2,1H3,(H2,25,33)(H,27,31)(H,28,32)
• InChIKey: FRTMWMHFZXJROT-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 174.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide (CID 177283478) is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OCCc3ccn[nH]3)n2)nc(C(N)=O)c1N.

What is the InChIKey of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide?

The InChIKey is FRTMWMHFZXJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O2/c1-12-2-3-16-15(11-28-32-16)19(12)14-10-18(29-21(20(14)24)22(25)33)17-5-7-26-23(30-17)34-9-6-13-4-8-27-31-13/h2-5,7-8,10-11H,6,9,24H2,1H3,(H2,25,33)(H,27,31)(H,28,32).

What are the key properties of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide?

3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177283478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).