1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol

C17H23FN6O — CID 50972443

IUPAC1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2ncc(F)c(N3CCCC3)n2)CC1
InChIInChI=1S/C17H23FN6O/c18-14-11-20-16(21-15(14)23-6-1-2-7-23)24-8-3-17(25,4-9-24)12-22-10-5-19-13-22/h5,10-11,13,25H,1-4,6-9,12H2
InChIKeyHJDZHDFFHVEBNS-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.44
Rot. Bonds4

About 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol

1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol (PubChem CID 50972443) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
PubChem CID50972443
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2ncc(F)c(N3CCCC3)n2)CC1
InChIInChI=1S/C17H23FN6O/c18-14-11-20-16(21-15(14)23-6-1-2-7-23)24-8-3-17(25,4-9-24)12-22-10-5-19-13-22/h5,10-11,13,25H,1-4,6-9,12H2
InChIKeyHJDZHDFFHVEBNS-UHFFFAOYSA-N
XLogP1.44
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol with MolForge

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Related Compounds

5-fluoro-2-[4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 50958561
2-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-5-fluoro-N,N-dimethyl-4-pyrimidinamine
CID 72862478
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039
4-{5-fluoro-2-[3-(1H-imidazol-1-ylmethyl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72937447
2-[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 97192182
2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 97192183
5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278798
5-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278799
(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97450252
(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97450253
4-(5-Fluoropyrimidin-2-yl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97451012
4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine
CID 97456431

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol (CID 50972443) is 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol is OC1(Cn2ccnc2)CCN(c2ncc(F)c(N3CCCC3)n2)CC1.
What is the InChIKey of 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is HJDZHDFFHVEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c18-14-11-20-16(21-15(14)23-6-1-2-7-23)24-8-3-17(25,4-9-24)12-22-10-5-19-13-22/h5,10-11,13,25H,1-4,6-9,12H2.
What are the key properties of 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 346.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 50972443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).