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

C20H19F3N8 — CID 139344533

IUPAC3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C20H19F3N8/c1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23/h2-5,8-12,18,24H,6-7H2,1H3,(H,27,28)
InChIKeyNHQYJNBHECIYJS-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.07
Rot. Bonds3

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

3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344533) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344533
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C20H19F3N8/c1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23/h2-5,8-12,18,24H,6-7H2,1H3,(H,27,28)
InChIKeyNHQYJNBHECIYJS-UHFFFAOYSA-N
XLogP3.07
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344533) is 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is NHQYJNBHECIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8/c1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23/h2-5,8-12,18,24H,6-7H2,1H3,(H,27,28).
What are the key properties of 3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 428.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 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)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).