N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C24H21F3N6O2 — CID 71525570

IUPACN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccnc2cc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)18-6-2-1-5-17(18)19-14-22-28-9-8-20(33(22)31-19)23(34)30-21-7-3-4-16(29-21)15-32-10-12-35-13-11-32/h1-9,14H,10-13,15H2,(H,29,30,34)
InChIKeyPESRZVVSZULRIP-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.89
Rot. Bonds5

About N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 71525570) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID71525570
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccnc2cc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)18-6-2-1-5-17(18)19-14-22-28-9-8-20(33(22)31-19)23(34)30-21-7-3-4-16(29-21)15-32-10-12-35-13-11-32/h1-9,14H,10-13,15H2,(H,29,30,34)
InChIKeyPESRZVVSZULRIP-UHFFFAOYSA-N
XLogP3.89
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 71525570) is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(Nc1cccc(CN2CCOCC2)n1)c1ccnc2cc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PESRZVVSZULRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c25-24(26,27)18-6-2-1-5-17(18)19-14-22-28-9-8-20(33(22)31-19)23(34)30-21-7-3-4-16(29-21)15-32-10-12-35-13-11-32/h1-9,14H,10-13,15H2,(H,29,30,34).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 71525570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).