[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C26H27ClFN7O2 — CID 58254980

IUPAC[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)c5ocnc5C)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C26H27ClFN7O2/c1-14-8-18(10-22-29-12-20(27)25(31-22)32-23-9-15(2)33-34-23)21(28)11-19(14)17-4-6-35(7-5-17)26(36)24-16(3)30-13-37-24/h8-9,11-13,17H,4-7,10H2,1-3H3,(H2,29,31,32,33,34)
InChIKeyGGESZRFJWKYWRX-UHFFFAOYSA-N
MW524.00 g/mol
LogP5.26
Rot. Bonds6

About [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 58254980) has the molecular formula C26H27ClFN7O2 and a molecular weight of 524.00 g/mol. Its IUPAC name is [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID58254980
Molecular FormulaC26H27ClFN7O2
Molecular Weight524.00 g/mol
Exact Mass523.19
IUPAC Name[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)c5ocnc5C)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C26H27ClFN7O2/c1-14-8-18(10-22-29-12-20(27)25(31-22)32-23-9-15(2)33-34-23)21(28)11-19(14)17-4-6-35(7-5-17)26(36)24-16(3)30-13-37-24/h8-9,11-13,17H,4-7,10H2,1-3H3,(H2,29,31,32,33,34)
InChIKeyGGESZRFJWKYWRX-UHFFFAOYSA-N
XLogP5.26
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.00
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

N-[3-[6-(3-chloro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162657
[3-(3-Amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110118618
N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 154573618
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 58255116
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 58255150
[4-[5-fluoro-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 68338215
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 68338306
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 68338366
[4-[5-fluoro-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 68338521
N-[3-[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162666
N-[4-fluoro-3-[6-[4-(2-morpholin-4-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162702
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 145506016

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 58254980) is [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C(=O)c5ocnc5C)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is GGESZRFJWKYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN7O2/c1-14-8-18(10-22-29-12-20(27)25(31-22)32-23-9-15(2)33-34-23)21(28)11-19(14)17-4-6-35(7-5-17)26(36)24-16(3)30-13-37-24/h8-9,11-13,17H,4-7,10H2,1-3H3,(H2,29,31,32,33,34).
What are the key properties of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 524.00 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 58254980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).