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

C27H29N5O5 — CID 167400694

IUPAC7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(OCCN5CCOCC5)cc4)nn23)cc1OC
InChIInChI=1S/C27H29N5O5/c1-34-24-8-3-19(17-25(24)35-2)23-9-10-28-26-18-22(30-32(23)26)27(33)29-20-4-6-21(7-5-20)37-16-13-31-11-14-36-15-12-31/h3-10,17-18H,11-16H2,1-2H3,(H,29,33)
InChIKeyAJRYTPNAVBLXIW-UHFFFAOYSA-N
MW503.56 g/mol
LogP3.38
Rot. Bonds9

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

7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167400694) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167400694
Molecular FormulaC27H29N5O5
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC Name7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(OCCN5CCOCC5)cc4)nn23)cc1OC
InChIInChI=1S/C27H29N5O5/c1-34-24-8-3-19(17-25(24)35-2)23-9-10-28-26-18-22(30-32(23)26)27(33)29-20-4-6-21(7-5-20)37-16-13-31-11-14-36-15-12-31/h3-10,17-18H,11-16H2,1-2H3,(H,29,33)
InChIKeyAJRYTPNAVBLXIW-UHFFFAOYSA-N
XLogP3.38
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

CID 139465947
CID 139465947
CID 1046563
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CID 4431057
CID 4431057
CID 44454671
CID 44454671
CID 6619702
CID 6619702
CID 16598922
CID 16598922
CID 25121551
CID 25121551
CID 44529094
CID 44529094
CID 66555957
CID 66555957
CID 135217206
CID 135217206
CID 135217271
CID 135217271
CID 135217280
CID 135217280

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 167400694) is 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(OCCN5CCOCC5)cc4)nn23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AJRYTPNAVBLXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5/c1-34-24-8-3-19(17-25(24)35-2)23-9-10-28-26-18-22(30-32(23)26)27(33)29-20-4-6-21(7-5-20)37-16-13-31-11-14-36-15-12-31/h3-10,17-18H,11-16H2,1-2H3,(H,29,33).
What are the key properties of 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167400694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).