4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

C28H29FN6 — CID 141328338

IUPAC4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3C=C(Nc4cnn(Cc5ccc(F)cc5)c4)C=CC3)CC2)cc1
InChIInChI=1S/C28H29FN6/c29-25-9-7-24(8-10-25)19-35-21-27(17-31-35)32-26-2-1-13-34(20-26)28-11-14-33(15-12-28)18-23-5-3-22(16-30)4-6-23/h1-10,17,20-21,28,32H,11-15,18-19H2
InChIKeyRDWIDPTXQJZFCZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.73
Rot. Bonds7

About 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 141328338) has the molecular formula C28H29FN6 and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID141328338
Molecular FormulaC28H29FN6
Molecular Weight468.58 g/mol
Exact Mass468.24
IUPAC Name4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3C=C(Nc4cnn(Cc5ccc(F)cc5)c4)C=CC3)CC2)cc1
InChIInChI=1S/C28H29FN6/c29-25-9-7-24(8-10-25)19-35-21-27(17-31-35)32-26-2-1-13-34(20-26)28-11-14-33(15-12-28)18-23-5-3-22(16-30)4-6-23/h1-10,17,20-21,28,32H,11-15,18-19H2
InChIKeyRDWIDPTXQJZFCZ-UHFFFAOYSA-N
XLogP4.73
TPSA60.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
N-[[1-(2,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546287
N-[[1-(2,4-difluorophenyl)-3-(p-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546529
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 44630919
N-[[1-(2,4-difluorophenyl)-3-phenyl-pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546532
US9994546, Example 98
CID 118297939
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 6483867
1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 26463353
3-Fluoro-4-[(2-pyrazol-1-ylethylamino)methyl]benzonitrile
CID 53537286
4-[[1-(4-Methylpyrazol-1-yl)propan-2-ylamino]methyl]benzonitrile
CID 53564775

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (CID 141328338) is 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC(N3C=C(Nc4cnn(Cc5ccc(F)cc5)c4)C=CC3)CC2)cc1.
What is the InChIKey of 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is RDWIDPTXQJZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6/c29-25-9-7-24(8-10-25)19-35-21-27(17-31-35)32-26-2-1-13-34(20-26)28-11-14-33(15-12-28)18-23-5-3-22(16-30)4-6-23/h1-10,17,20-21,28,32H,11-15,18-19H2.
What are the key properties of 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 468.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 141328338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).