N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide

C24H25N7O — CID 42415043

IUPACN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1
InChIInChI=1S/C24H25N7O/c1-24(2)12-21(20-14-26-31(22(20)13-24)19-6-4-3-5-7-19)27-23(32)18-10-8-17(9-11-18)15-30-16-25-28-29-30/h3-11,14,16,21H,12-13,15H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyCUIFLNZHGRTZCM-OAQYLSRUSA-N
MW427.51 g/mol
LogP3.35
Rot. Bonds5

About N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 42415043) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID42415043
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1
InChIInChI=1S/C24H25N7O/c1-24(2)12-21(20-14-26-31(22(20)13-24)19-6-4-3-5-7-19)27-23(32)18-10-8-17(9-11-18)15-30-16-25-28-29-30/h3-11,14,16,21H,12-13,15H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyCUIFLNZHGRTZCM-OAQYLSRUSA-N
XLogP3.35
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 42415043) is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide is CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is CUIFLNZHGRTZCM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N7O/c1-24(2)12-21(20-14-26-31(22(20)13-24)19-6-4-3-5-7-19)27-23(32)18-10-8-17(9-11-18)15-30-16-25-28-29-30/h3-11,14,16,21H,12-13,15H2,1-2H3,(H,27,32)/t21-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42415043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).