7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H10F3N7O2 — CID 137441594

IUPAC7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22)
InChIKeyOHNDPIFFDDUKRR-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.45
Rot. Bonds4

About 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441594) has the molecular formula C13H10F3N7O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441594
Molecular FormulaC13H10F3N7O2
Molecular Weight353.26 g/mol
Exact Mass353.08
IUPAC Name7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22)
InChIKeyOHNDPIFFDDUKRR-UHFFFAOYSA-N
XLogP1.45
TPSA133.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449661
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10647512
2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo[3,4-d]pyrimidin-2-yl)acetamide
CID 42633668
2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetamide
CID 49782105
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]amino]pyrazole-4-carboxamide
CID 90343450
5-[(2-cyclopropyloxypyridin-3-yl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508
N-(3,3-difluorocyclobutyl)-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441585
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449132
5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449140
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-hydroxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449161
N-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449197

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441594) is 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12.
What is the InChIKey of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHNDPIFFDDUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22).
What are the key properties of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).