3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid

C16H21N5O3 — CID 154743110

IUPAC3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1NC(=O)c1cnc2n1CCCC2
InChIInChI=1S/C16H21N5O3/c1-10-15(11(2)21(19-10)8-6-14(22)23)18-16(24)12-9-17-13-5-3-4-7-20(12)13/h9H,3-8H2,1-2H3,(H,18,24)(H,22,23)
InChIKeySYJZKGMSYQFGEG-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.76
Rot. Bonds5

About 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid

3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid (PubChem CID 154743110) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid
PubChem CID154743110
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1NC(=O)c1cnc2n1CCCC2
InChIInChI=1S/C16H21N5O3/c1-10-15(11(2)21(19-10)8-6-14(22)23)18-16(24)12-9-17-13-5-3-4-7-20(12)13/h9H,3-8H2,1-2H3,(H,18,24)(H,22,23)
InChIKeySYJZKGMSYQFGEG-UHFFFAOYSA-N
XLogP1.76
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid (CID 154743110) is 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid is Cc1nn(CCC(=O)O)c(C)c1NC(=O)c1cnc2n1CCCC2.
What is the InChIKey of 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The InChIKey is SYJZKGMSYQFGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-15(11(2)21(19-10)8-6-14(22)23)18-16(24)12-9-17-13-5-3-4-7-20(12)13/h9H,3-8H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid?
3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid has a molecular weight of 331.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 154743110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).