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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Related Compounds

6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane
CID 144734857
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080
2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 58278746
8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 78098431
N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]-8-[3-[4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-2-yl]oxypropyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123798823
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
7-methyl-N-pyridin-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525492
N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71525658
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 46175716
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 151634107

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).