N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide

C14H15ClN4O2 — CID 134422914

IUPACN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide
SMILESO=CNc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-6-12-10(5-13(11)16-9-20)7-19(17-12)8-14(21)18-3-1-2-4-18/h5-7,9H,1-4,8H2,(H,16,20)
InChIKeyCMUCPLXZHCBAJP-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.88
Rot. Bonds4

About N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide

N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide (PubChem CID 134422914) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide.

Molecular Properties

Compound NameN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide
PubChem CID134422914
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide
SMILESO=CNc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-6-12-10(5-13(11)16-9-20)7-19(17-12)8-14(21)18-3-1-2-4-18/h5-7,9H,1-4,8H2,(H,16,20)
InChIKeyCMUCPLXZHCBAJP-UHFFFAOYSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 118182494
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173016
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
CID 122240500
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118173008
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118182655
4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
CID 107344226
6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123354518
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 9420895
4-nitro-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
CID 107345809
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide?
The IUPAC name of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide (CID 134422914) is N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide.
What is the SMILES notation for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide?
The canonical SMILES for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide is O=CNc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl.
What is the InChIKey of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide?
The InChIKey is CMUCPLXZHCBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-6-12-10(5-13(11)16-9-20)7-19(17-12)8-14(21)18-3-1-2-4-18/h5-7,9H,1-4,8H2,(H,16,20).
What are the key properties of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide?
N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide has a molecular weight of 306.75 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide is sourced from PubChem (CID 134422914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).