N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H25N5O2 — CID 1370002

IUPACN-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C25H25N5O2/c31-25(26-11-12-29-13-15-32-16-14-29)21-18-27-30-23(20-9-5-2-6-10-20)17-22(28-24(21)30)19-7-3-1-4-8-19/h1-10,17-18H,11-16H2,(H,26,31)
InChIKeyCYKXQALDDRWUIC-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.13
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1370002) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1370002
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C25H25N5O2/c31-25(26-11-12-29-13-15-32-16-14-29)21-18-27-30-23(20-9-5-2-6-10-20)17-22(28-24(21)30)19-7-3-1-4-8-19/h1-10,17-18H,11-16H2,(H,26,31)
InChIKeyCYKXQALDDRWUIC-UHFFFAOYSA-N
XLogP3.13
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1370002) is N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CYKXQALDDRWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-25(26-11-12-29-13-15-32-16-14-29)21-18-27-30-23(20-9-5-2-6-10-20)17-22(28-24(21)30)19-7-3-1-4-8-19/h1-10,17-18H,11-16H2,(H,26,31).
What are the key properties of N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1370002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).