6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide

C22H26N4O4 — CID 137377513

IUPAC6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27)
InChIKeyAMSYSGSGVNYOFM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.27
Rot. Bonds5

About 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide

6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 137377513) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID137377513
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27)
InChIKeyAMSYSGSGVNYOFM-UHFFFAOYSA-N
XLogP3.27
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide (CID 137377513) is 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is AMSYSGSGVNYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27).
What are the key properties of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 137377513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).