[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone

C30H32N4O2 — CID 118353268

IUPAC[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C2CCC1C(Cn1ccc3cc(-c4cnn(C5CCCCO5)c4)ccc31)C2
InChIInChI=1S/C30H32N4O2/c35-30(21-6-2-1-3-7-21)34-26-10-12-28(34)24(17-26)19-32-14-13-23-16-22(9-11-27(23)32)25-18-31-33(20-25)29-8-4-5-15-36-29/h1-3,6-7,9,11,13-14,16,18,20,24,26,28-29H,4-5,8,10,12,15,17,19H2
InChIKeyLVHWBTDMMDMZBB-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.90
Rot. Bonds5

About [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone

[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone (PubChem CID 118353268) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone
PubChem CID118353268
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C2CCC1C(Cn1ccc3cc(-c4cnn(C5CCCCO5)c4)ccc31)C2
InChIInChI=1S/C30H32N4O2/c35-30(21-6-2-1-3-7-21)34-26-10-12-28(34)24(17-26)19-32-14-13-23-16-22(9-11-27(23)32)25-18-31-33(20-25)29-8-4-5-15-36-29/h1-3,6-7,9,11,13-14,16,18,20,24,26,28-29H,4-5,8,10,12,15,17,19H2
InChIKeyLVHWBTDMMDMZBB-UHFFFAOYSA-N
XLogP5.90
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 118354912
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678071
1-[[1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678069
N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
CID 118354891
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 118678040
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indazole
CID 118674568
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676683
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
CID 118676597
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone?
The IUPAC name of [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone (CID 118353268) is [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone.
What is the SMILES notation for [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone?
The canonical SMILES for [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone is O=C(c1ccccc1)N1C2CCC1C(Cn1ccc3cc(-c4cnn(C5CCCCO5)c4)ccc31)C2.
What is the InChIKey of [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone?
The InChIKey is LVHWBTDMMDMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c35-30(21-6-2-1-3-7-21)34-26-10-12-28(34)24(17-26)19-32-14-13-23-16-22(9-11-27(23)32)25-18-31-33(20-25)29-8-4-5-15-36-29/h1-3,6-7,9,11,13-14,16,18,20,24,26,28-29H,4-5,8,10,12,15,17,19H2.
What are the key properties of [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone?
[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone has a molecular weight of 480.61 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone is sourced from PubChem (CID 118353268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).