(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C28H24ClFN4O — CID 42371402

IUPAC(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C28H24ClFN4O/c1-18-5-2-3-7-22(18)24-17-32-27(20-6-4-12-31-16-20)33-26(24)19-10-13-34(14-11-19)28(35)23-15-21(29)8-9-25(23)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3
InChIKeyVMOFPFOAWCSBHT-UHFFFAOYSA-N
MW486.98 g/mol
LogP6.33
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 42371402) has the molecular formula C28H24ClFN4O and a molecular weight of 486.98 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID42371402
Molecular FormulaC28H24ClFN4O
Molecular Weight486.98 g/mol
Exact Mass486.16
IUPAC Name(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C28H24ClFN4O/c1-18-5-2-3-7-22(18)24-17-32-27(20-6-4-12-31-16-20)33-26(24)19-10-13-34(14-11-19)28(35)23-15-21(29)8-9-25(23)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3
InChIKeyVMOFPFOAWCSBHT-UHFFFAOYSA-N
XLogP6.33
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557891
Pyrimidine-4-carboxamide, 65
CID 44520946
Pyrimidine-4-carboxamide, 66
CID 44520960
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 10007129
[4-(3-Chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950719
[4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 15950992
6-(2-Chloro-6-methyl-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 44390941
[2-chloro-3-(trifluoromethyl)phenyl]-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86281547
[3-[2-Methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86341973
[3-[2-Methyl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342000
[3-[2-Methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342001
[3-[2-Methyl-6-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342002

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 42371402) is (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ccccc1-c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is VMOFPFOAWCSBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O/c1-18-5-2-3-7-22(18)24-17-32-27(20-6-4-12-31-16-20)33-26(24)19-10-13-34(14-11-19)28(35)23-15-21(29)8-9-25(23)30/h2-9,12,15-17,19H,10-11,13-14H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 486.98 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42371402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).