2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine

C25H25FN8O — CID 176556440

IUPAC2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
SMILESCOC[C@H]1CN(c2cc(F)ccn2)CCN1c1ncc(/C=C/c2ccc(-n3ccnc3)nc2)cn1
InChIInChI=1S/C25H25FN8O/c1-35-17-22-16-32(24-12-21(26)6-7-28-24)10-11-34(22)25-30-14-20(15-31-25)3-2-19-4-5-23(29-13-19)33-9-8-27-18-33/h2-9,12-15,18,22H,10-11,16-17H2,1H3/b3-2+/t22-/m1/s1
InChIKeyPJRPZDMJBMZFHS-UHQIAATHSA-N
MW472.53 g/mol
LogP3.10
Rot. Bonds7

About 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine

2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine (PubChem CID 176556440) has the molecular formula C25H25FN8O and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
PubChem CID176556440
Molecular FormulaC25H25FN8O
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
SMILESCOC[C@H]1CN(c2cc(F)ccn2)CCN1c1ncc(/C=C/c2ccc(-n3ccnc3)nc2)cn1
InChIInChI=1S/C25H25FN8O/c1-35-17-22-16-32(24-12-21(26)6-7-28-24)10-11-34(22)25-30-14-20(15-31-25)3-2-19-4-5-23(29-13-19)33-9-8-27-18-33/h2-9,12-15,18,22H,10-11,16-17H2,1H3/b3-2+/t22-/m1/s1
InChIKeyPJRPZDMJBMZFHS-UHQIAATHSA-N
XLogP3.10
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
CID 176556423
2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
CID 176556495
2-(2,4-difluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole
CID 53183274
5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 163356833
tert-butyl 4-(2-imidazol-1-ylpyrimidin-4-yl)-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
CID 134535303
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422250
5-[5-[2-[2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]pyrimidin-5-yl]ethynyl]-2-pyridinyl]-1,3-oxazole
CID 178066052
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
CID 70717549
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
4-[(3S,4R)-3-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-4-methoxypyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 146112058

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine?
The IUPAC name of 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine (CID 176556440) is 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine.
What is the SMILES notation for 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine?
The canonical SMILES for 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine is COC[C@H]1CN(c2cc(F)ccn2)CCN1c1ncc(/C=C/c2ccc(-n3ccnc3)nc2)cn1.
What is the InChIKey of 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine?
The InChIKey is PJRPZDMJBMZFHS-UHQIAATHSA-N. The full InChI is InChI=1S/C25H25FN8O/c1-35-17-22-16-32(24-12-21(26)6-7-28-24)10-11-34(22)25-30-14-20(15-31-25)3-2-19-4-5-23(29-13-19)33-9-8-27-18-33/h2-9,12-15,18,22H,10-11,16-17H2,1H3/b3-2+/t22-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine?
2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine has a molecular weight of 472.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-fluoro-2-pyridinyl)-2-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine is sourced from PubChem (CID 176556440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).