4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid

C17H22N4O4 — CID 119357288

IUPAC4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H22N4O4/c1-17(2,9-7-14(23)24)19-13(22)8-10-18-16(25)15-11-5-3-4-6-12(11)20-21-15/h3-6H,7-10H2,1-2H3,(H,18,25)(H,19,22)(H,20,21)(H,23,24)
InChIKeyCIWKGAPYQRRJPJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.44
Rot. Bonds8

About 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid

4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 119357288) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID119357288
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H22N4O4/c1-17(2,9-7-14(23)24)19-13(22)8-10-18-16(25)15-11-5-3-4-6-12(11)20-21-15/h3-6H,7-10H2,1-2H3,(H,18,25)(H,19,22)(H,20,21)(H,23,24)
InChIKeyCIWKGAPYQRRJPJ-UHFFFAOYSA-N
XLogP1.44
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120599389
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid (CID 119357288) is 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is CIWKGAPYQRRJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-17(2,9-7-14(23)24)19-13(22)8-10-18-16(25)15-11-5-3-4-6-12(11)20-21-15/h3-6H,7-10H2,1-2H3,(H,18,25)(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 346.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119357288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).