tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate

C25H29FN4O2 — CID 138974176

IUPACtert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H29FN4O2/c1-25(2,3)32-24(31)30-13-10-17(11-14-30)22-15-19(9-12-27-22)21-16-29(4)28-23(21)18-5-7-20(26)8-6-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3
InChIKeyDWOQGUGQCPNFQO-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.40
Rot. Bonds3

About tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 138974176) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID138974176
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Nametert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H29FN4O2/c1-25(2,3)32-24(31)30-13-10-17(11-14-30)22-15-19(9-12-27-22)21-16-29(4)28-23(21)18-5-7-20(26)8-6-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3
InChIKeyDWOQGUGQCPNFQO-UHFFFAOYSA-N
XLogP5.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

FR-194921
CID 9821511
2-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2,2,2-trifluoroacetic acid
CID 86276247
(2R)-2-[(3S,4S)-3-({4-[1-Ethyl-3-(pyridin-3-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 516188
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953832
8-[3-[4-(1-Methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118395100
8-[3-Fluoro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408040
3-(4-Fluoro-phenyl)-6-(1-methyl-piperidin-4-yl)-4-pyridin-4-yl-pyridazine
CID 44399652
3-(1,3-Diphenylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522290
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate (CID 138974176) is tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate is Cn1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is DWOQGUGQCPNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-25(2,3)32-24(31)30-13-10-17(11-14-30)22-15-19(9-12-27-22)21-16-29(4)28-23(21)18-5-7-20(26)8-6-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3.
What are the key properties of tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 436.53 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 138974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).