benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate

C29H32N4O3 — CID 118354912

IUPACbenzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)C1
InChIInChI=1S/C29H32N4O3/c34-29(36-21-22-6-2-1-3-7-22)32-13-11-23(19-32)18-31-14-12-25-16-24(9-10-27(25)31)26-17-30-33(20-26)28-8-4-5-15-35-28/h1-3,6-7,9-10,12,14,16-17,20,23,28H,4-5,8,11,13,15,18-19,21H2
InChIKeyGCDCWIIIUHXVOW-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.86
Rot. Bonds6

About benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate

benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 118354912) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID118354912
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Namebenzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)C1
InChIInChI=1S/C29H32N4O3/c34-29(36-21-22-6-2-1-3-7-22)32-13-11-23(19-32)18-31-14-12-25-16-24(9-10-27(25)31)26-17-30-33(20-26)28-8-4-5-15-35-28/h1-3,6-7,9-10,12,14,16-17,20,23,28H,4-5,8,11,13,15,18-19,21H2
InChIKeyGCDCWIIIUHXVOW-UHFFFAOYSA-N
XLogP5.86
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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
[2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-phenylmethanone
CID 118353268
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676683
N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
CID 169094668
benzyl (3S)-3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71646510
benzyl 4-[(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl]piperidine-1-carboxylate
CID 166450865
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
benzyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 71648730
benzyl N-[(1R)-1-[2-[1-(oxan-2-yl)pyrazol-4-yl]quinolin-4-yl]ethyl]carbamate
CID 171792117

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate (CID 118354912) is benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)C1.
What is the InChIKey of benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is GCDCWIIIUHXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-29(36-21-22-6-2-1-3-7-22)32-13-11-23(19-32)18-31-14-12-25-16-24(9-10-27(25)31)26-17-30-33(20-26)28-8-4-5-15-35-28/h1-3,6-7,9-10,12,14,16-17,20,23,28H,4-5,8,11,13,15,18-19,21H2.
What are the key properties of benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate?
benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118354912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).