[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C22H23ClN4O2 — CID 133388434

IUPAC[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23ClN4O2/c1-2-17-19(23)25-20(15-7-4-3-5-8-15)26-21(17)24-16-10-12-27(13-11-16)22(28)18-9-6-14-29-18/h3-9,14,16H,2,10-13H2,1H3,(H,24,25,26)
InChIKeyXWPVSDVVYHOFRE-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.67
Rot. Bonds5

About [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 133388434) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID133388434
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23ClN4O2/c1-2-17-19(23)25-20(15-7-4-3-5-8-15)26-21(17)24-16-10-12-27(13-11-16)22(28)18-9-6-14-29-18/h3-9,14,16H,2,10-13H2,1H3,(H,24,25,26)
InChIKeyXWPVSDVVYHOFRE-UHFFFAOYSA-N
XLogP4.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133468013
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133466368
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 133388434) is [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is CCc1c(Cl)nc(-c2ccccc2)nc1NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XWPVSDVVYHOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-17-19(23)25-20(15-7-4-3-5-8-15)26-21(17)24-16-10-12-27(13-11-16)22(28)18-9-6-14-29-18/h3-9,14,16H,2,10-13H2,1H3,(H,24,25,26).
What are the key properties of [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 410.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 133388434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).