2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid

C20H19F4N9O2 — CID 162312720

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(-n4cncn4)n3)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18FN9.C2HF3O2/c19-12-3-4-16-22-8-14(27(16)9-12)18-25-15(24-13-2-1-5-20-7-13)6-17(26-18)28-11-21-10-23-28;3-2(4,5)1(6)7/h3-4,6,8-11,13,20H,1-2,5,7H2,(H,24,25,26);(H,6,7)/t13-;/m1./s1
InChIKeyVKJFUUCNHMSBJR-BTQNPOSSSA-N
MW493.43 g/mol
LogP2.31
Rot. Bonds4

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 162312720) has the molecular formula C20H19F4N9O2 and a molecular weight of 493.43 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID162312720
Molecular FormulaC20H19F4N9O2
Molecular Weight493.43 g/mol
Exact Mass493.16
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(-n4cncn4)n3)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18FN9.C2HF3O2/c19-12-3-4-16-22-8-14(27(16)9-12)18-25-15(24-13-2-1-5-20-7-13)6-17(26-18)28-11-21-10-23-28;3-2(4,5)1(6)7/h3-4,6,8-11,13,20H,1-2,5,7H2,(H,24,25,26);(H,6,7)/t13-;/m1./s1
InChIKeyVKJFUUCNHMSBJR-BTQNPOSSSA-N
XLogP2.31
TPSA135.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 141298973
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 67262133
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 86692691
3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67254760
6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 118164360
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 86692699
4-[6-[[1-(2-cyanoacetyl)piperidin-3-yl]amino]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 67255606
N-[(3R)-piperidin-3-yl]-6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 58303489
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 67240178
6-[[1-(2-cyanoacetyl)piperidin-3-yl]amino]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4-carbonitrile
CID 67256309
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[(2S)-2-[hydroxy(methoxy)methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 163698565
3-[(3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67254913

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 162312720) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid is Fc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(-n4cncn4)n3)n2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VKJFUUCNHMSBJR-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H18FN9.C2HF3O2/c19-12-3-4-16-22-8-14(27(16)9-12)18-25-15(24-13-2-1-5-20-7-13)6-17(26-18)28-11-21-10-23-28;3-2(4,5)1(6)7/h3-4,6,8-11,13,20H,1-2,5,7H2,(H,24,25,26);(H,6,7)/t13-;/m1./s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 493.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162312720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).