2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide

C21H26N4O — CID 45272667

IUPAC2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1
InChIInChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26)
InChIKeyYJUZCFNGIHEGED-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.25
Rot. Bonds8

About 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide

2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide (PubChem CID 45272667) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
PubChem CID45272667
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1
InChIInChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26)
InChIKeyYJUZCFNGIHEGED-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 74222277
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The IUPAC name of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide (CID 45272667) is 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The canonical SMILES for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1.
What is the InChIKey of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The InChIKey is YJUZCFNGIHEGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26).
What are the key properties of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide has a molecular weight of 350.47 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 45272667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).