4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C19H18F3N7O2 — CID 154888583

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)cc1-c1ccnc(NCc2cn3ccccc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N7.C2HF3O2/c1-12-14(11-23(2)22-12)15-6-7-18-17(21-15)19-9-13-10-24-8-4-3-5-16(24)20-13;3-2(4,5)1(6)7/h3-8,10-11H,9H2,1-2H3,(H,18,19,21);(H,6,7)
InChIKeyCRXCSRMNXSIAPE-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.08
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid

4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 154888583) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID154888583
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)cc1-c1ccnc(NCc2cn3ccccc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N7.C2HF3O2/c1-12-14(11-23(2)22-12)15-6-7-18-17(21-15)19-9-13-10-24-8-4-3-5-16(24)20-13;3-2(4,5)1(6)7/h3-8,10-11H,9H2,1-2H3,(H,18,19,21);(H,6,7)
InChIKeyCRXCSRMNXSIAPE-UHFFFAOYSA-N
XLogP3.08
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Pf-05180999
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Adipiplon
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Nelociguat
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N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
US10399985, Example 30
CID 118278101
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 154888583) is 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cc1nn(C)cc1-c1ccnc(NCc2cn3ccccc3n2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CRXCSRMNXSIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7.C2HF3O2/c1-12-14(11-23(2)22-12)15-6-7-18-17(21-15)19-9-13-10-24-8-4-3-5-16(24)20-13;3-2(4,5)1(6)7/h3-8,10-11H,9H2,1-2H3,(H,18,19,21);(H,6,7).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 433.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).