2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid

C16H15ClN4O3 — CID 167791913

IUPAC2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C16H15ClN4O3/c1-21-13(4-5-19-21)15(16(23)24)20-14(22)6-9-8-18-12-7-10(17)2-3-11(9)12/h2-5,7-8,15,18H,6H2,1H3,(H,20,22)(H,23,24)
InChIKeyDRCWZEKSMRKZGN-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.04
Rot. Bonds5

About 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid

2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid (PubChem CID 167791913) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid
PubChem CID167791913
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C16H15ClN4O3/c1-21-13(4-5-19-21)15(16(23)24)20-14(22)6-9-8-18-12-7-10(17)2-3-11(9)12/h2-5,7-8,15,18H,6H2,1H3,(H,20,22)(H,23,24)
InChIKeyDRCWZEKSMRKZGN-UHFFFAOYSA-N
XLogP2.04
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 119044814
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58842077
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 78968459
2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 155945110
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid (CID 167791913) is 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid is Cn1nccc1C(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid?
The InChIKey is DRCWZEKSMRKZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-21-13(4-5-19-21)15(16(23)24)20-14(22)6-9-8-18-12-7-10(17)2-3-11(9)12/h2-5,7-8,15,18H,6H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid?
2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid has a molecular weight of 346.77 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 167791913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).