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

C19H19F3N6O — CID 139344889

IUPACN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F3N6O/c1-12(29)25-14-3-2-8-27(11-14)17-6-7-23-18(26-17)15-9-24-16-5-4-13(10-28(15)16)19(20,21)22/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,29)
InChIKeyCSUAZPDRZLDPMV-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.91
Rot. Bonds3

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

N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide (PubChem CID 139344889) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
PubChem CID139344889
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F3N6O/c1-12(29)25-14-3-2-8-27(11-14)17-6-7-23-18(26-17)15-9-24-16-5-4-13(10-28(15)16)19(20,21)22/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,29)
InChIKeyCSUAZPDRZLDPMV-UHFFFAOYSA-N
XLogP2.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide (CID 139344889) is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is CSUAZPDRZLDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-12(29)25-14-3-2-8-27(11-14)17-6-7-23-18(26-17)15-9-24-16-5-4-13(10-28(15)16)19(20,21)22/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,29).
What are the key properties of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide?
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 139344889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).