N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C24H23N5O2 — CID 10387041

IUPACN-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1ccn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C24H23N5O2/c30-24(25-17-19-8-4-5-9-22(19)28-12-14-31-15-13-28)20-10-11-29-23(26-20)16-21(27-29)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,25,30)
InChIKeyIHILKJXAOUVNCV-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.16
Rot. Bonds5

About N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 10387041) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID10387041
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1ccn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C24H23N5O2/c30-24(25-17-19-8-4-5-9-22(19)28-12-14-31-15-13-28)20-10-11-29-23(26-20)16-21(27-29)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,25,30)
InChIKeyIHILKJXAOUVNCV-UHFFFAOYSA-N
XLogP3.16
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.16
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-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 10387041) is N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NCc1ccccc1N1CCOCC1)c1ccn2nc(-c3ccccc3)cc2n1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is IHILKJXAOUVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-24(25-17-19-8-4-5-9-22(19)28-12-14-31-15-13-28)20-10-11-29-23(26-20)16-21(27-29)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,25,30).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 10387041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).