5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid

C19H24N4O3 — CID 122007006

IUPAC5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C19H24N4O3/c24-17(25)10-9-15(11-13-5-2-1-3-6-13)21-19(26)22-16-8-4-7-14-12-20-23-18(14)16/h1-3,5-6,12,15-16H,4,7-11H2,(H,20,23)(H,24,25)(H2,21,22,26)
InChIKeyJVPZMODFDVAYNH-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.56
Rot. Bonds7

About 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid

5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid (PubChem CID 122007006) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
PubChem CID122007006
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C19H24N4O3/c24-17(25)10-9-15(11-13-5-2-1-3-6-13)21-19(26)22-16-8-4-7-14-12-20-23-18(14)16/h1-3,5-6,12,15-16H,4,7-11H2,(H,20,23)(H,24,25)(H2,21,22,26)
InChIKeyJVPZMODFDVAYNH-UHFFFAOYSA-N
XLogP2.56
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid (CID 122007006) is 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid?
The InChIKey is JVPZMODFDVAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(25)10-9-15(11-13-5-2-1-3-6-13)21-19(26)22-16-8-4-7-14-12-20-23-18(14)16/h1-3,5-6,12,15-16H,4,7-11H2,(H,20,23)(H,24,25)(H2,21,22,26).
What are the key properties of 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid?
5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid has a molecular weight of 356.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 122007006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).