3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one

C22H18F2N4O3 — CID 142681487

IUPAC3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1cc2nccc(-c3ccc(OC(F)F)cc3OCC3CC3)n2n1
InChIInChI=1S/C22H18F2N4O3/c23-22(24)31-14-5-6-16(19(10-14)30-12-13-3-4-13)18-7-9-25-20-11-17(27-28(18)20)15-2-1-8-26-21(15)29/h1-2,5-11,13,22H,3-4,12H2,(H,26,29)
InChIKeyLOCVKRXGUIGKDY-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.14
Rot. Bonds7

About 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one

3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one (PubChem CID 142681487) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one
PubChem CID142681487
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1cc2nccc(-c3ccc(OC(F)F)cc3OCC3CC3)n2n1
InChIInChI=1S/C22H18F2N4O3/c23-22(24)31-14-5-6-16(19(10-14)30-12-13-3-4-13)18-7-9-25-20-11-17(27-28(18)20)15-2-1-8-26-21(15)29/h1-2,5-11,13,22H,3-4,12H2,(H,26,29)
InChIKeyLOCVKRXGUIGKDY-UHFFFAOYSA-N
XLogP4.14
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 24776132
[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide
CID 24775016
3-(7-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
CID 167436102
3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135845052
7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66811661
2-[4-[1-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]phenoxy]acetic acid
CID 25115822
7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66811172
methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24775483
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
[(2R,3S,4R)-4-[[2-[4-(difluoromethoxy)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 129167077
3-bromo-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24775292

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one (CID 142681487) is 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1cc2nccc(-c3ccc(OC(F)F)cc3OCC3CC3)n2n1.
What is the InChIKey of 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one?
The InChIKey is LOCVKRXGUIGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-22(24)31-14-5-6-16(19(10-14)30-12-13-3-4-13)18-7-9-25-20-11-17(27-28(18)20)15-2-1-8-26-21(15)29/h1-2,5-11,13,22H,3-4,12H2,(H,26,29).
What are the key properties of 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one?
3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one has a molecular weight of 424.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 142681487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).