4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

C18H18F3N7 — CID 166601638

IUPAC4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)ncn2)n1
InChIInChI=1S/C18H18F3N7/c1-13-5-6-28(25-13)17-11-16(22-12-23-17)27-9-7-26(8-10-27)15-4-2-3-14(24-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyFPQSJGCFHHPZAV-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.71
Rot. Bonds3

About 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (PubChem CID 166601638) has the molecular formula C18H18F3N7 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
PubChem CID166601638
Molecular FormulaC18H18F3N7
Molecular Weight389.39 g/mol
Exact Mass389.16
IUPAC Name4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)ncn2)n1
InChIInChI=1S/C18H18F3N7/c1-13-5-6-28(25-13)17-11-16(22-12-23-17)27-9-7-26(8-10-27)15-4-2-3-14(24-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyFPQSJGCFHHPZAV-UHFFFAOYSA-N
XLogP2.71
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (CID 166601638) is 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is Cc1ccn(-c2cc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)ncn2)n1.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The InChIKey is FPQSJGCFHHPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7/c1-13-5-6-28(25-13)17-11-16(22-12-23-17)27-9-7-26(8-10-27)15-4-2-3-14(24-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine has a molecular weight of 389.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 166601638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).