5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine

C25H31ClFN7 — CID 130255758

IUPAC5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1Cl
InChIInChI=1S/C25H31ClFN7/c1-28-23-22(26)25(30-17-29-23)33-11-7-18(8-12-33)24-31-21(19-5-4-6-20(27)15-19)16-34(24)14-13-32-9-2-3-10-32/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29,30)
InChIKeyWIXYGBLPFDNCNR-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.65
Rot. Bonds7

About 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine

5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 130255758) has the molecular formula C25H31ClFN7 and a molecular weight of 484.02 g/mol. Its IUPAC name is 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID130255758
Molecular FormulaC25H31ClFN7
Molecular Weight484.02 g/mol
Exact Mass483.23
IUPAC Name5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1Cl
InChIInChI=1S/C25H31ClFN7/c1-28-23-22(26)25(30-17-29-23)33-11-7-18(8-12-33)24-31-21(19-5-4-6-20(27)15-19)16-34(24)14-13-32-9-2-3-10-32/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29,30)
InChIKeyWIXYGBLPFDNCNR-UHFFFAOYSA-N
XLogP4.65
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 130255758) is 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is WIXYGBLPFDNCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN7/c1-28-23-22(26)25(30-17-29-23)33-11-7-18(8-12-33)24-31-21(19-5-4-6-20(27)15-19)16-34(24)14-13-32-9-2-3-10-32/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29,30).
What are the key properties of 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 484.02 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 130255758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).