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

C23H22N4O2 — CID 127047620

IUPACN-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)OCc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-16(29-15-17-5-3-2-4-6-17)14-25-23(28)19-7-8-21-20(13-19)22(27-26-21)18-9-11-24-12-10-18/h2-13,16H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyDWYUEDVJYIKOQZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds7

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

N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047620) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047620
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)OCc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-16(29-15-17-5-3-2-4-6-17)14-25-23(28)19-7-8-21-20(13-19)22(27-26-21)18-9-11-24-12-10-18/h2-13,16H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyDWYUEDVJYIKOQZ-UHFFFAOYSA-N
XLogP3.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047620) is N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is CC(CNC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)OCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is DWYUEDVJYIKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16(29-15-17-5-3-2-4-6-17)14-25-23(28)19-7-8-21-20(13-19)22(27-26-21)18-9-11-24-12-10-18/h2-13,16H,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).