5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid

C19H21ClN4O3 — CID 142427738

IUPAC5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(Cl)c(-c3cnn(CCN4CCOCC4)c3)cc21
InChIInChI=1S/C19H21ClN4O3/c1-22-17-10-15(16(20)8-13(17)9-18(22)19(25)26)14-11-21-24(12-14)3-2-23-4-6-27-7-5-23/h8-12H,2-7H2,1H3,(H,25,26)
InChIKeyXRKJNHGZMQUKRW-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid

5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid (PubChem CID 142427738) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid
PubChem CID142427738
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(Cl)c(-c3cnn(CCN4CCOCC4)c3)cc21
InChIInChI=1S/C19H21ClN4O3/c1-22-17-10-15(16(20)8-13(17)9-18(22)19(25)26)14-11-21-24(12-14)3-2-23-4-6-27-7-5-23/h8-12H,2-7H2,1H3,(H,25,26)
InChIKeyXRKJNHGZMQUKRW-UHFFFAOYSA-N
XLogP2.73
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 177063838
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
CID 90025606
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 67459493
N-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 141200703
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
CID 67106893
2-(2,6-dichlorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-f][1,6]naphthyridine-3-carboxamide
CID 166165469
N-[2-chloro-5-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 177372142
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid (CID 142427738) is 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(Cl)c(-c3cnn(CCN4CCOCC4)c3)cc21.
What is the InChIKey of 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid?
The InChIKey is XRKJNHGZMQUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-22-17-10-15(16(20)8-13(17)9-18(22)19(25)26)14-11-21-24(12-14)3-2-23-4-6-27-7-5-23/h8-12H,2-7H2,1H3,(H,25,26).
What are the key properties of 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid?
5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid has a molecular weight of 388.86 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid is sourced from PubChem (CID 142427738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).