N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C16H16F3N7 — CID 126889693

IUPACN-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nccn4nccc34)CC2)ncn1
InChIInChI=1S/C16H16F3N7/c17-16(18,19)13-9-14(22-10-21-13)24-11-2-6-25(7-3-11)15-12-1-4-23-26(12)8-5-20-15/h1,4-5,8-11H,2-3,6-7H2,(H,21,22,24)
InChIKeyJLFCIODYOIDYQU-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.62
Rot. Bonds3

About N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889693) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889693
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC NameN-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nccn4nccc34)CC2)ncn1
InChIInChI=1S/C16H16F3N7/c17-16(18,19)13-9-14(22-10-21-13)24-11-2-6-25(7-3-11)15-12-1-4-23-26(12)8-5-20-15/h1,4-5,8-11H,2-3,6-7H2,(H,21,22,24)
InChIKeyJLFCIODYOIDYQU-UHFFFAOYSA-N
XLogP2.62
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889695
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
CID 126889834
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
CID 104732778
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889655
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
4-N,4-N-dimethyl-6-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888492

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889693) is N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(c3nccn4nccc34)CC2)ncn1.
What is the InChIKey of N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JLFCIODYOIDYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c17-16(18,19)13-9-14(22-10-21-13)24-11-2-6-25(7-3-11)15-12-1-4-23-26(12)8-5-20-15/h1,4-5,8-11H,2-3,6-7H2,(H,21,22,24).
What are the key properties of N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 363.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).