tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate

C21H25FN4O2 — CID 118060259

IUPACtert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)28-20(27)25-8-6-16(7-9-25)26-13-14(11-24-26)18-12-23-19-10-15(22)4-5-17(18)19/h4-5,10-13,16,23H,6-9H2,1-3H3
InChIKeyNQYJAHSPIHOPNA-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.74
Rot. Bonds2

About tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 118060259) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID118060259
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Nametert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)28-20(27)25-8-6-16(7-9-25)26-13-14(11-24-26)18-12-23-19-10-15(22)4-5-17(18)19/h4-5,10-13,16,23H,6-9H2,1-3H3
InChIKeyNQYJAHSPIHOPNA-UHFFFAOYSA-N
XLogP4.74
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10432325
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
3-benzyl-8-(2-(5-fluoro-1H-indol-3-yl)ethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one
CID 9887650
1-(1-(3-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 10120530
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016625
1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186583

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate (CID 118060259) is tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is NQYJAHSPIHOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2,3)28-20(27)25-8-6-16(7-9-25)26-13-14(11-24-26)18-12-23-19-10-15(22)4-5-17(18)19/h4-5,10-13,16,23H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 118060259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).