7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H25N5O5 — CID 167035862

IUPAC7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1OC
InChIInChI=1S/C26H25N5O5/c1-34-22-8-5-18(15-23(22)35-2)21-9-10-27-24-16-20(29-31(21)24)25(32)28-19-6-3-17(4-7-19)26(33)30-11-13-36-14-12-30/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyBAYMHSRLYALBOD-UHFFFAOYSA-N
MW487.52 g/mol
LogP3.14
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167035862) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167035862
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1OC
InChIInChI=1S/C26H25N5O5/c1-34-22-8-5-18(15-23(22)35-2)21-9-10-27-24-16-20(29-31(21)24)25(32)28-19-6-3-17(4-7-19)26(33)30-11-13-36-14-12-30/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyBAYMHSRLYALBOD-UHFFFAOYSA-N
XLogP3.14
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 167035862) is 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BAYMHSRLYALBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-34-22-8-5-18(15-23(22)35-2)21-9-10-27-24-16-20(29-31(21)24)25(32)28-19-6-3-17(4-7-19)26(33)30-11-13-36-14-12-30/h3-10,15-16H,11-14H2,1-2H3,(H,28,32).
What are the key properties of 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167035862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).