3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one

C26H29FN4O — CID 123580966

IUPAC3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H29FN4O/c27-24-5-1-19(2-6-24)3-8-26(32)30-12-9-20(10-13-30)18-31-14-11-22-15-21(4-7-25(22)31)23-16-28-29-17-23/h1-2,4-7,15-17,20H,3,8-14,18H2,(H,28,29)
InChIKeyPNFWROUPZONBAI-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.45
Rot. Bonds6

About 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 123580966) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID123580966
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H29FN4O/c27-24-5-1-19(2-6-24)3-8-26(32)30-12-9-20(10-13-30)18-31-14-11-22-15-21(4-7-25(22)31)23-16-28-29-17-23/h1-2,4-7,15-17,20H,3,8-14,18H2,(H,28,29)
InChIKeyPNFWROUPZONBAI-UHFFFAOYSA-N
XLogP4.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 91884584
phenyl-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118354970
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118676727
1-[4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118354885
3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 86936518
3-(3-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118676710
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole
CID 90068395
1-[4-[[2-methanimidoyl-4-(1H-pyrazol-4-yl)anilino]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 145005470
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
3-(4-fluorophenyl)-1-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118685294
1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 123580966) is 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one is O=C(CCc1ccc(F)cc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is PNFWROUPZONBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c27-24-5-1-19(2-6-24)3-8-26(32)30-12-9-20(10-13-30)18-31-14-11-22-15-21(4-7-25(22)31)23-16-28-29-17-23/h1-2,4-7,15-17,20H,3,8-14,18H2,(H,28,29).
What are the key properties of 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 432.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 123580966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).