(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C24H23N5O2 — CID 56537116

IUPAC(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)[nH]c2c1
InChIInChI=1S/C24H23N5O2/c1-31-19-8-7-18-15-21(26-20(18)16-19)24(30)29-13-11-28(12-14-29)22-9-10-25-23(27-22)17-5-3-2-4-6-17/h2-10,15-16,26H,11-14H2,1H3
InChIKeyJNVOCJHKKZKCBX-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.60
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56537116) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56537116
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)[nH]c2c1
InChIInChI=1S/C24H23N5O2/c1-31-19-8-7-18-15-21(26-20(18)16-19)24(30)29-13-11-28(12-14-29)22-9-10-25-23(27-22)17-5-3-2-4-6-17/h2-10,15-16,26H,11-14H2,1H3
InChIKeyJNVOCJHKKZKCBX-UHFFFAOYSA-N
XLogP3.60
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537246
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(6-methoxy-1H-indol-2-yl)-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 71797895
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56537116) is (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JNVOCJHKKZKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-8-7-18-15-21(26-20(18)16-19)24(30)29-13-11-28(12-14-29)22-9-10-25-23(27-22)17-5-3-2-4-6-17/h2-10,15-16,26H,11-14H2,1H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56537116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).