3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C19H17F3N8 — CID 139343425

IUPAC3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C19H17F3N8/c1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h2,4,6-11,13H,3,5H2,1H3,(H,26,27)
InChIKeyGREHMSDFXMWWMU-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.31
Rot. Bonds3

About 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343425) has the molecular formula C19H17F3N8 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343425
Molecular FormulaC19H17F3N8
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC Name3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C19H17F3N8/c1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h2,4,6-11,13H,3,5H2,1H3,(H,26,27)
InChIKeyGREHMSDFXMWWMU-UHFFFAOYSA-N
XLogP3.31
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 73265219
3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344357
3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344438
3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344509
3-[4-[(3S)-4-[[(1S)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344525
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344533
3-[4-[(3R)-4-[[(1S)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344540
3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344556
3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344694
3-[4-[(3R)-4-[[(1R)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344700
3-[4-[(3S)-4-[[(1R)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344774
3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344885

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343425) is 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is GREHMSDFXMWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8/c1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h2,4,6-11,13H,3,5H2,1H3,(H,26,27).
What are the key properties of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 414.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).