5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C20H21F2N5O — CID 90182205

IUPAC5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(F)F)nc1
InChIInChI=1S/C20H21F2N5O/c1-11-4-5-17(24-7-11)14-6-13(14)10-28-20-15(8-23-12(2)25-20)16-9-27(3)26-18(16)19(21)22/h4-5,7-9,13-14,19H,6,10H2,1-3H3/t13-,14?/m1/s1
InChIKeyKXUXWMDLVBNPQV-KWCCSABGSA-N
MW385.42 g/mol
LogP4.01
Rot. Bonds6

About 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 90182205) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID90182205
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(F)F)nc1
InChIInChI=1S/C20H21F2N5O/c1-11-4-5-17(24-7-11)14-6-13(14)10-28-20-15(8-23-12(2)25-20)16-9-27(3)26-18(16)19(21)22/h4-5,7-9,13-14,19H,6,10H2,1-3H3/t13-,14?/m1/s1
InChIKeyKXUXWMDLVBNPQV-KWCCSABGSA-N
XLogP4.01
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine with MolForge

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Related Compounds

N-[(1-Methyl-1h-Pyrazol-4-Yl)methyl]-5-{[(1s,2s)-2-(Pyridin-2-Yl)cyclopropyl]methoxy}pyrazolo[1,5-A]pyrimidin-7-Amine
CID 76903477
MK-8189
CID 71271414
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 71061389
6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 71274109
4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073044

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 90182205) is 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is Cc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(F)F)nc1.
What is the InChIKey of 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is KXUXWMDLVBNPQV-KWCCSABGSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-11-4-5-17(24-7-11)14-6-13(14)10-28-20-15(8-23-12(2)25-20)16-9-27(3)26-18(16)19(21)22/h4-5,7-9,13-14,19H,6,10H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 385.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 90182205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).