7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H23F2N5O4 — CID 1259789

IUPAC7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1
InChIInChI=1S/C26H23F2N5O4/c1-36-19-8-4-16(5-9-19)21-14-22(23(27)28)33-24(31-21)20(15-29-33)25(34)30-18-6-2-17(3-7-18)26(35)32-10-12-37-13-11-32/h2-9,14-15,23H,10-13H2,1H3,(H,30,34)
InChIKeyPOTIPWUYFJZSER-UHFFFAOYSA-N
MW507.50 g/mol
LogP4.07
Rot. Bonds6

About 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1259789) has the molecular formula C26H23F2N5O4 and a molecular weight of 507.50 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1259789
Molecular FormulaC26H23F2N5O4
Molecular Weight507.50 g/mol
Exact Mass507.17
IUPAC Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1
InChIInChI=1S/C26H23F2N5O4/c1-36-19-8-4-16(5-9-19)21-14-22(23(27)28)33-24(31-21)20(15-29-33)25(34)30-18-6-2-17(3-7-18)26(35)32-10-12-37-13-11-32/h2-9,14-15,23H,10-13H2,1H3,(H,30,34)
InChIKeyPOTIPWUYFJZSER-UHFFFAOYSA-N
XLogP4.07
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1259789) is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is POTIPWUYFJZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O4/c1-36-19-8-4-16(5-9-19)21-14-22(23(27)28)33-24(31-21)20(15-29-33)25(34)30-18-6-2-17(3-7-18)26(35)32-10-12-37-13-11-32/h2-9,14-15,23H,10-13H2,1H3,(H,30,34).
What are the key properties of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 507.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1259789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).