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

C26H24F2N4O3 — CID 24775012

IUPAC3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3
InChIKeyURIZZUCGJGNMGQ-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.16
Rot. Bonds8

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

3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide (PubChem CID 24775012) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide
PubChem CID24775012
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3
InChIKeyURIZZUCGJGNMGQ-UHFFFAOYSA-N
XLogP5.16
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide (CID 24775012) is 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1.
What is the InChIKey of 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is URIZZUCGJGNMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3.
What are the key properties of 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide?
3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 478.50 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 24775012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).