3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C19H17ClF3N9 — CID 139343602

IUPAC3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2Cl)N1
InChIInChI=1S/C19H17ClF3N9/c1-10-7-31(8-12(28-10)11-4-27-30-17(11)20)15-2-3-24-18(29-15)13-5-26-16-6-25-14(9-32(13)16)19(21,22)23/h2-6,9-10,12,28H,7-8H2,1H3,(H,27,30)
InChIKeyCPLHSKCQSQMTNP-UHFFFAOYSA-N
MW463.86 g/mol
LogP3.12
Rot. Bonds3

About 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343602) has the molecular formula C19H17ClF3N9 and a molecular weight of 463.86 g/mol. Its IUPAC name is 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343602
Molecular FormulaC19H17ClF3N9
Molecular Weight463.86 g/mol
Exact Mass463.12
IUPAC Name3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2Cl)N1
InChIInChI=1S/C19H17ClF3N9/c1-10-7-31(8-12(28-10)11-4-27-30-17(11)20)15-2-3-24-18(29-15)13-5-26-16-6-25-14(9-32(13)16)19(21,22)23/h2-6,9-10,12,28H,7-8H2,1H3,(H,27,30)
InChIKeyCPLHSKCQSQMTNP-UHFFFAOYSA-N
XLogP3.12
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.86
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[(3R,5R)-3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 153418447
6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358679
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343812
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358095
(Z)-4-imino-3-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pent-2-en-2-amine
CID 139357775
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139358662
3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358500
(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 152617043
3-[4-[3-(2-chloro-1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358770
3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358421
5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 153331131

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343602) is 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2Cl)N1.
What is the InChIKey of 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is CPLHSKCQSQMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N9/c1-10-7-31(8-12(28-10)11-4-27-30-17(11)20)15-2-3-24-18(29-15)13-5-26-16-6-25-14(9-32(13)16)19(21,22)23/h2-6,9-10,12,28H,7-8H2,1H3,(H,27,30).
What are the key properties of 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 463.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).