(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C18H17F3N6O — CID 139344396

IUPAC(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t11-/m0/s1
InChIKeyCDEMLZHHBCHNQX-NSHDSACASA-N
MW390.37 g/mol
LogP2.51
Rot. Bonds3

About (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139344396) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID139344396
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t11-/m0/s1
InChIKeyCDEMLZHHBCHNQX-NSHDSACASA-N
XLogP2.51
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344720
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344409
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
CID 139344584
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159289603
3-[4-[(3S)-4-cyclopropyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane;S-methylthiohydroxylamine
CID 153331595
3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344386
[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-(1-methylcyclopropyl)methanone
CID 139344503
[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922348

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 139344396) is (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is CDEMLZHHBCHNQX-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139344396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).