(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid

C27H27N3O2 — CID 59781760

IUPAC(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(NCc2ccc3cn(Cc4ccc(-c5ccccc5)cc4)nc3c2)C1
InChIInChI=1S/C27H27N3O2/c31-27(32)23-12-13-25(15-23)28-16-20-8-11-24-18-30(29-26(24)14-20)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,18,23,25,28H,12-13,15-17H2,(H,31,32)/t23-,25?/m1/s1
InChIKeySSDVTQBUXYRQDI-XQZUBTRRSA-N
MW425.53 g/mol
LogP5.09
Rot. Bonds7

About (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid

(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid (PubChem CID 59781760) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid
PubChem CID59781760
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(NCc2ccc3cn(Cc4ccc(-c5ccccc5)cc4)nc3c2)C1
InChIInChI=1S/C27H27N3O2/c31-27(32)23-12-13-25(15-23)28-16-20-8-11-24-18-30(29-26(24)14-20)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,18,23,25,28H,12-13,15-17H2,(H,31,32)/t23-,25?/m1/s1
InChIKeySSDVTQBUXYRQDI-XQZUBTRRSA-N
XLogP5.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid (CID 59781760) is (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC(NCc2ccc3cn(Cc4ccc(-c5ccccc5)cc4)nc3c2)C1.
What is the InChIKey of (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is SSDVTQBUXYRQDI-XQZUBTRRSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27(32)23-12-13-25(15-23)28-16-20-8-11-24-18-30(29-26(24)14-20)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,18,23,25,28H,12-13,15-17H2,(H,31,32)/t23-,25?/m1/s1.
What are the key properties of (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid?
(1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 425.53 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[[2-[(4-phenylphenyl)methyl]indazol-6-yl]methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59781760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).