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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Related Compounds

[1-(4-formyl-2-pyridinyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11364682
7-Fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethyl]amino]-3-quinolinecarboxamide
CID 130470684
[(1R)-1-[6-chloro-4-(dimethylcarbamoyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 57404529
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(piperidin-1-ylmethyl)-2-pyridinyl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70681361
[1-[6-chloro-4-(dimethylcarbamoyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70685595
[1-[4-(dimethylcarbamoyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70691910
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70696077
[1-[4-(azepan-1-ylmethyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70696079
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 91800747
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
CID 45377565
ethyl 5-[1-methyl-3-[(6-oxo-1H-pyridin-3-yl)methylcarbamoyl]pyrazol-5-yl]-1H-indole-2-carboxylate
CID 45377703

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).