7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C22H22F2N4O2 — CID 135897821

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(C2CCNc3cc(-c4cccnc4)nn32)cc1OCC1CC1
InChIInChI=1S/C22H22F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-6,8,10-12,14,18,22,26H,3-4,7,9,13H2
InChIKeyMWSXEMJYXGKLIK-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.74
Rot. Bonds7

About 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135897821) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135897821
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(C2CCNc3cc(-c4cccnc4)nn32)cc1OCC1CC1
InChIInChI=1S/C22H22F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-6,8,10-12,14,18,22,26H,3-4,7,9,13H2
InChIKeyMWSXEMJYXGKLIK-UHFFFAOYSA-N
XLogP4.74
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3842722
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-7-amine
CID 10208705
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-7-amine
CID 10279099
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-(1-oxypyridin-3-yl)-pyrazolo[1,5-a]pyrimidine
CID 23624298
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24774753
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine
CID 24775191
3-[7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 24775752
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
CID 24776131
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
3-(4-ethoxy-3-methoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905282

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135897821) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(C2CCNc3cc(-c4cccnc4)nn32)cc1OCC1CC1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MWSXEMJYXGKLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-6,8,10-12,14,18,22,26H,3-4,7,9,13H2.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 412.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135897821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).