piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid

C19H23F3N6O3 — CID 155866421

IUPACpiperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnc2n1CC(Nc1ncccn1)CC2)N1CCCCC1
InChIInChI=1S/C17H22N6O.C2HF3O2/c24-16(22-9-2-1-3-10-22)14-11-20-15-6-5-13(12-23(14)15)21-17-18-7-4-8-19-17;3-2(4,5)1(6)7/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,18,19,21);(H,6,7)
InChIKeyQCQVXALKDQQMRA-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.36
Rot. Bonds3

About piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid

piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155866421) has the molecular formula C19H23F3N6O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155866421
Molecular FormulaC19H23F3N6O3
Molecular Weight440.43 g/mol
Exact Mass440.18
IUPAC Namepiperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnc2n1CC(Nc1ncccn1)CC2)N1CCCCC1
InChIInChI=1S/C17H22N6O.C2HF3O2/c24-16(22-9-2-1-3-10-22)14-11-20-15-6-5-13(12-23(14)15)21-17-18-7-4-8-19-17;3-2(4,5)1(6)7/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,18,19,21);(H,6,7)
InChIKeyQCQVXALKDQQMRA-UHFFFAOYSA-N
XLogP2.36
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 73671216
US10906888, Example 116
CID 139580304
US10906888, Example 110
CID 139580371
US10906888, Example 118
CID 139580397
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide
CID 92042878
US10906888, Example 128
CID 134177596
US10906888, Example 129
CID 139580392
N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97390959
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742708
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745302
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745361
7-But-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-yloxypurin-6-one;2,2,2-trifluoroacetic acid
CID 23070720

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid (CID 155866421) is piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnc2n1CC(Nc1ncccn1)CC2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is QCQVXALKDQQMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.C2HF3O2/c24-16(22-9-2-1-3-10-22)14-11-20-15-6-5-13(12-23(14)15)21-17-18-7-4-8-19-17;3-2(4,5)1(6)7/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,18,19,21);(H,6,7).
What are the key properties of piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid?
piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 440.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155866421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).