N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide

C26H25N7O2 — CID 67859431

IUPACN-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc2cnn(Cc3ccc(-c4nn[nH]n4)cc3OC)c2c1)c1ccccc1
InChIInChI=1S/C26H25N7O2/c1-3-22(17-7-5-4-6-8-17)26(34)28-21-12-11-19-15-27-33(23(19)14-21)16-20-10-9-18(13-24(20)35-2)25-29-31-32-30-25/h4-15,22H,3,16H2,1-2H3,(H,28,34)(H,29,30,31,32)
InChIKeyMARFROLVFYMDAU-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.41
Rot. Bonds8

About N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide

N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide (PubChem CID 67859431) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide
PubChem CID67859431
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc2cnn(Cc3ccc(-c4nn[nH]n4)cc3OC)c2c1)c1ccccc1
InChIInChI=1S/C26H25N7O2/c1-3-22(17-7-5-4-6-8-17)26(34)28-21-12-11-19-15-27-33(23(19)14-21)16-20-10-9-18(13-24(20)35-2)25-29-31-32-30-25/h4-15,22H,3,16H2,1-2H3,(H,28,34)(H,29,30,31,32)
InChIKeyMARFROLVFYMDAU-UHFFFAOYSA-N
XLogP4.41
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide with MolForge

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Related Compounds

3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid
CID 23365898
methyl 2-(benzenesulfonyl)-3-[4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxyphenyl]-3-oxopropanoate
CID 14753018
3-[4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxyphenyl]-3-oxo-2-phenylsulfanylpropanoic acid
CID 67745389
(2R)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 7425580
(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670451
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
(2S)-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 1026845
(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005058
(2R)-N-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide
CID 93124562
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
CID 92869374
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide?
The IUPAC name of N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide (CID 67859431) is N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc2cnn(Cc3ccc(-c4nn[nH]n4)cc3OC)c2c1)c1ccccc1.
What is the InChIKey of N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide?
The InChIKey is MARFROLVFYMDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-3-22(17-7-5-4-6-8-17)26(34)28-21-12-11-19-15-27-33(23(19)14-21)16-20-10-9-18(13-24(20)35-2)25-29-31-32-30-25/h4-15,22H,3,16H2,1-2H3,(H,28,34)(H,29,30,31,32).
What are the key properties of N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide?
N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide has a molecular weight of 467.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]indazol-6-yl]-2-phenylbutanamide is sourced from PubChem (CID 67859431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).