phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

C28H27N5O2 — CID 66840291

IUPACphenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(cnn4-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-7-3-1-4-8-21)31-15-13-30(14-16-31)25-19-32(20-25)28(35)22-11-12-26-23(17-22)18-29-33(26)24-9-5-2-6-10-24/h1-12,17-18,25H,13-16,19-20H2
InChIKeyUVKDMKYKGJOKSL-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.31
Rot. Bonds4

About phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66840291) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
PubChem CID66840291
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Namephenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(cnn4-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-7-3-1-4-8-21)31-15-13-30(14-16-31)25-19-32(20-25)28(35)22-11-12-26-23(17-22)18-29-33(26)24-9-5-2-6-10-24/h1-12,17-18,25H,13-16,19-20H2
InChIKeyUVKDMKYKGJOKSL-UHFFFAOYSA-N
XLogP3.31
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
c-Niraparib
CID 124081212
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199
2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxamide
CID 44549379
2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549647
2-[4-(Pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-7-carboxamide
CID 44549648
2-(4-(piperidin-1-ylmethyl)phenyl)-2H-indazole-7-carboxamide
CID 44549649
2-[4-(Morpholin-4-ylmethyl)phenyl]-2H-indazole-7-carboxamide
CID 44549650
2-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}-2H-indazole-7-carboxamide
CID 44549651
2-(4-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549774

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (CID 66840291) is phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(cnn4-c4ccccc4)c3)C2)CC1.
What is the InChIKey of phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is UVKDMKYKGJOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-27(21-7-3-1-4-8-21)31-15-13-30(14-16-31)25-19-32(20-25)28(35)22-11-12-26-23(17-22)18-29-33(26)24-9-5-2-6-10-24/h1-12,17-18,25H,13-16,19-20H2.
What are the key properties of phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[1-(1-phenylindazole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66840291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).