(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone

C27H28N4O2 — CID 90609112

IUPAC(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
SMILESCOc1c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2nn1C
InChIInChI=1S/C27H28N4O2/c1-29-27(33-2)23-14-13-22(19-24(23)28-29)26(32)31-17-15-30(16-18-31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3
InChIKeyDAQIMFSBUPSACR-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.13
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone (PubChem CID 90609112) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
PubChem CID90609112
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
SMILESCOc1c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2nn1C
InChIInChI=1S/C27H28N4O2/c1-29-27(33-2)23-14-13-22(19-24(23)28-29)26(32)31-17-15-30(16-18-31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3
InChIKeyDAQIMFSBUPSACR-UHFFFAOYSA-N
XLogP4.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
1'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609235
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72719017
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone (CID 90609112) is (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone is COc1c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2nn1C.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone?
The InChIKey is DAQIMFSBUPSACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-29-27(33-2)23-14-13-22(19-24(23)28-29)26(32)31-17-15-30(16-18-31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone has a molecular weight of 440.55 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone is sourced from PubChem (CID 90609112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).