N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide

C22H20N4O2 — CID 127047159

IUPACN-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1
InChIInChI=1S/C22H20N4O2/c1-15(28-18-5-3-2-4-6-18)14-24-22(27)17-7-8-20-19(13-17)21(26-25-20)16-9-11-23-12-10-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDNYVLBDHXAEEAY-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.82
Rot. Bonds6

About N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047159) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047159
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1
InChIInChI=1S/C22H20N4O2/c1-15(28-18-5-3-2-4-6-18)14-24-22(27)17-7-8-20-19(13-17)21(26-25-20)16-9-11-23-12-10-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDNYVLBDHXAEEAY-UHFFFAOYSA-N
XLogP3.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047159) is N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is CC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is DNYVLBDHXAEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(28-18-5-3-2-4-6-18)14-24-22(27)17-7-8-20-19(13-17)21(26-25-20)16-9-11-23-12-10-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).