2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid

C16H25N5O3 — CID 122093398

IUPAC2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cc3n(n2)CCCC3)C1
InChIInChI=1S/C16H25N5O3/c1-2-20(10-15(22)23)13-7-11(8-13)17-16(24)18-14-9-12-5-3-4-6-21(12)19-14/h9,11,13H,2-8,10H2,1H3,(H,22,23)(H2,17,18,19,24)
InChIKeyKEYISEAOKONDQU-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.28
Rot. Bonds6

About 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid

2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid (PubChem CID 122093398) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
PubChem CID122093398
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cc3n(n2)CCCC3)C1
InChIInChI=1S/C16H25N5O3/c1-2-20(10-15(22)23)13-7-11(8-13)17-16(24)18-14-9-12-5-3-4-6-21(12)19-14/h9,11,13H,2-8,10H2,1H3,(H,22,23)(H2,17,18,19,24)
InChIKeyKEYISEAOKONDQU-UHFFFAOYSA-N
XLogP1.28
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122075709
2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089391
2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122088862
2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122094279
2-[ethyl-[3-[(3-methoxy-4-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092361
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[ethyl-[3-[(2,3,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094164
2-[ethyl-[3-[(2-pyrazol-1-ylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076188
2-[ethyl-[3-[(6-methyl-1,3-benzodioxol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089238

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid (CID 122093398) is 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2cc3n(n2)CCCC3)C1.
What is the InChIKey of 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid?
The InChIKey is KEYISEAOKONDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-20(10-15(22)23)13-7-11(8-13)17-16(24)18-14-9-12-5-3-4-6-21(12)19-14/h9,11,13H,2-8,10H2,1H3,(H,22,23)(H2,17,18,19,24).
What are the key properties of 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid?
2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid has a molecular weight of 335.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122093398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).