2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid

C19H18F3N5O2 — CID 139344781

IUPAC2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-3-4-15-24-9-14(27(15)11-13)18-23-6-5-16(25-18)26-7-1-2-12(10-26)8-17(28)29/h3-6,9,11-12H,1-2,7-8,10H2,(H,28,29)
InChIKeyGHMKTGAZQBPGAT-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.50
Rot. Bonds4

About 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid (PubChem CID 139344781) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid
PubChem CID139344781
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-3-4-15-24-9-14(27(15)11-13)18-23-6-5-16(25-18)26-7-1-2-12(10-26)8-17(28)29/h3-6,9,11-12H,1-2,7-8,10H2,(H,28,29)
InChIKeyGHMKTGAZQBPGAT-UHFFFAOYSA-N
XLogP3.50
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid (CID 139344781) is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid?
The InChIKey is GHMKTGAZQBPGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)13-3-4-15-24-9-14(27(15)11-13)18-23-6-5-16(25-18)26-7-1-2-12(10-26)8-17(28)29/h3-6,9,11-12H,1-2,7-8,10H2,(H,28,29).
What are the key properties of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid?
2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid has a molecular weight of 405.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 139344781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).