3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C23H25F3N6O3 — CID 164822092

IUPAC3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESNCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C23H25F3N6O3/c24-23(25,26)19-3-1-2-16(29-19)22(35)30-17-13-32-12-15(4-5-21(33)34)28-20(32)10-18(17)31-8-6-14(11-27)7-9-31/h1-3,10,12-14H,4-9,11,27H2,(H,30,35)(H,33,34)
InChIKeyWIXOMVGTOHCWBS-UHFFFAOYSA-N
MW490.49 g/mol
LogP3.19
Rot. Bonds7

About 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 164822092) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID164822092
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC Name3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESNCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C23H25F3N6O3/c24-23(25,26)19-3-1-2-16(29-19)22(35)30-17-13-32-12-15(4-5-21(33)34)28-20(32)10-18(17)31-8-6-14(11-27)7-9-31/h1-3,10,12-14H,4-9,11,27H2,(H,30,35)(H,33,34)
InChIKeyWIXOMVGTOHCWBS-UHFFFAOYSA-N
XLogP3.19
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

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Related Compounds

US10087188, Example 46
CID 90283189
US10087188, Example 1
CID 121454909
US10087188, Example 13
CID 121454977
US10087188, Example 30
CID 121454982
US10087188, Example 34
CID 121455511
(1R,3r,5S,6s)-3-[8-amino-1-(4-{[4-(trifluoromethyl) pyridin-2-yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin-3-yl]bicyclo[3.1.0] hexane-6-carboxylic acid
CID 121455572
US10087188, Example 80
CID 121455652
US10087188, Example 154
CID 121455673
US10087188, Example 158
CID 121455701
US10087188, Example 99
CID 121455810
US10087188, Example 65
CID 121455892
cis-(1S,3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,3-dimethylcyclohexane-1-carboxylic acid
CID 137649218

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 164822092) is 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is NCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is WIXOMVGTOHCWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c24-23(25,26)19-3-1-2-16(29-19)22(35)30-17-13-32-12-15(4-5-21(33)34)28-20(32)10-18(17)31-8-6-14(11-27)7-9-31/h1-3,10,12-14H,4-9,11,27H2,(H,30,35)(H,33,34).
What are the key properties of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 490.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 164822092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).