propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate

C27H25F2N3O4 — CID 24774930

IUPACpropan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C27H25F2N3O4/c1-16(2)35-26(33)20-5-3-4-18(12-20)21-14-25-30-11-10-22(32(25)31-21)19-8-9-23(36-27(28)29)24(13-19)34-15-17-6-7-17/h3-5,8-14,16-17,27H,6-7,15H2,1-2H3
InChIKeyZWRXKWOSZMBGDE-UHFFFAOYSA-N
MW493.51 g/mol
LogP6.02
Rot. Bonds9

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

propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate (PubChem CID 24774930) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
PubChem CID24774930
Molecular FormulaC27H25F2N3O4
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC Namepropan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C27H25F2N3O4/c1-16(2)35-26(33)20-5-3-4-18(12-20)21-14-25-30-11-10-22(32(25)31-21)19-8-9-23(36-27(28)29)24(13-19)34-15-17-6-7-17/h3-5,8-14,16-17,27H,6-7,15H2,1-2H3
InChIKeyZWRXKWOSZMBGDE-UHFFFAOYSA-N
XLogP6.02
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate?
The IUPAC name of propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate (CID 24774930) is propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate.
What is the SMILES notation for propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate?
The canonical SMILES for propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate is CC(C)OC(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1.
What is the InChIKey of propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate?
The InChIKey is ZWRXKWOSZMBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c1-16(2)35-26(33)20-5-3-4-18(12-20)21-14-25-30-11-10-22(32(25)31-21)19-8-9-23(36-27(28)29)24(13-19)34-15-17-6-7-17/h3-5,8-14,16-17,27H,6-7,15H2,1-2H3.
What are the key properties of propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate?
propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate has a molecular weight of 493.51 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate is sourced from PubChem (CID 24774930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).