N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H16N4O2 — CID 121363790

IUPACN-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H16N4O2/c26-21(23-11-19-17-3-1-2-4-18(17)24-25-19)13-5-6-16-15-7-8-22-10-14(15)12-27-20(16)9-13/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyHERSOPQTEWJTMD-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.45
Rot. Bonds3

About N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363790) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363790
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H16N4O2/c26-21(23-11-19-17-3-1-2-4-18(17)24-25-19)13-5-6-16-15-7-8-22-10-14(15)12-27-20(16)9-13/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyHERSOPQTEWJTMD-UHFFFAOYSA-N
XLogP3.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363790) is N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1[nH]nc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is HERSOPQTEWJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(23-11-19-17-3-1-2-4-18(17)24-25-19)13-5-6-16-15-7-8-22-10-14(15)12-27-20(16)9-13/h1-10H,11-12H2,(H,23,26)(H,24,25).
What are the key properties of N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-indazol-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).