(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid

C16H21N3O3 — CID 126427214

IUPAC(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
SMILESCCCC[C@@H](CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21)/t12-/m0/s1
InChIKeyQAJGBDHCWWJBIM-LBPRGKRZSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds7

About (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid

(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid (PubChem CID 126427214) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
PubChem CID126427214
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
SMILESCCCC[C@@H](CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21)/t12-/m0/s1
InChIKeyQAJGBDHCWWJBIM-LBPRGKRZSA-N
XLogP2.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
CID 121496750
5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 125439176
(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
CID 126425811
ethane;N,N,5-trimethylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 176934638
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
CID 125163140
4-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027853
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 122561387
3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
N-[5-methyl-2-(pentanoylamino)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 50982993
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The IUPAC name of (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid (CID 126427214) is (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid is CCCC[C@@H](CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1.
What is the InChIKey of (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The InChIKey is QAJGBDHCWWJBIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 126427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).