2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol

C22H22F2N4O3 — CID 123412245

IUPAC2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(C(O)C(F)F)nc2)nc1
InChIInChI=1S/C22H22F2N4O3/c1-12-25-10-17(13-3-5-19(26-8-13)20(29)21(23)24)22(28-12)31-11-14-7-16(14)18-6-4-15(30-2)9-27-18/h3-6,8-10,14,16,20-21,29H,7,11H2,1-2H3
InChIKeyQNESJXSBSQJCLH-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.73
Rot. Bonds8

About 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol

2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol (PubChem CID 123412245) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol
PubChem CID123412245
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(C(O)C(F)F)nc2)nc1
InChIInChI=1S/C22H22F2N4O3/c1-12-25-10-17(13-3-5-19(26-8-13)20(29)21(23)24)22(28-12)31-11-14-7-16(14)18-6-4-15(30-2)9-27-18/h3-6,8-10,14,16,20-21,29H,7,11H2,1-2H3
InChIKeyQNESJXSBSQJCLH-UHFFFAOYSA-N
XLogP3.73
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
(R)-2-[1-(5-Cyclopropyl-pyrimidin-2-yl)-piperidin-4-yl]-5-(1-methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridine
CID 71208637
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
methyl 2-(4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-2-oxopyridin-1(2H)-yl)acetate
CID 76073011
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073012
4-[4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 76073013
1-(2-methoxyethyl)-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 76073045

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol (CID 123412245) is 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(C(O)C(F)F)nc2)nc1.
What is the InChIKey of 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol?
The InChIKey is QNESJXSBSQJCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-12-25-10-17(13-3-5-19(26-8-13)20(29)21(23)24)22(28-12)31-11-14-7-16(14)18-6-4-15(30-2)9-27-18/h3-6,8-10,14,16,20-21,29H,7,11H2,1-2H3.
What are the key properties of 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol?
2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol has a molecular weight of 428.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 123412245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).