[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C29H24ClFN6O2 — CID 118110273

IUPAC[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2cnn(C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)cc1-c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C29H24ClFN6O2/c30-22-3-1-2-19(12-22)26-16-34-28(39-26)25-13-20(14-33-27(25)32)21-15-35-37(17-21)24-8-10-36(11-9-24)29(38)18-4-6-23(31)7-5-18/h1-7,12-17,24H,8-11H2,(H2,32,33)
InChIKeyKAELERLRUYCVFV-UHFFFAOYSA-N
MW543.00 g/mol
LogP6.12
Rot. Bonds5

About [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 118110273) has the molecular formula C29H24ClFN6O2 and a molecular weight of 543.00 g/mol. Its IUPAC name is [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID118110273
Molecular FormulaC29H24ClFN6O2
Molecular Weight543.00 g/mol
Exact Mass542.16
IUPAC Name[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2cnn(C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)cc1-c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C29H24ClFN6O2/c30-22-3-1-2-19(12-22)26-16-34-28(39-26)25-13-20(14-33-27(25)32)21-15-35-37(17-21)24-8-10-36(11-9-24)29(38)18-4-6-23(31)7-5-18/h1-7,12-17,24H,8-11H2,(H2,32,33)
InChIKeyKAELERLRUYCVFV-UHFFFAOYSA-N
XLogP6.12
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.00
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

tert-butyl 4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 154628056
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 67388618
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
tert-butyl 4-[4-[6-amino-5-(3-chloro-1-benzofuran-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67520782
1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 58179851
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-[1-(1-dodecylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 118110185
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760577
tert-butyl 4-[4-[6-amino-5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118110212
1-[4-[4-[6-amino-5-[5-(3-chloro-2-fluorophenyl)-4-methyltriazol-1-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 91151836
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110202
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180172

Frequently Asked Questions

What is the IUPAC name of [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 118110273) is [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is Nc1ncc(-c2cnn(C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)cc1-c1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is KAELERLRUYCVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN6O2/c30-22-3-1-2-19(12-22)26-16-34-28(39-26)25-13-20(14-33-27(25)32)21-15-35-37(17-21)24-8-10-36(11-9-24)29(38)18-4-6-23(31)7-5-18/h1-7,12-17,24H,8-11H2,(H2,32,33).
What are the key properties of [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 543.00 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-amino-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 118110273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).