N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide

C14H13ClF2N4O2 — CID 134422963

IUPACN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
SMILESO=CNc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl
InChIInChI=1S/C14H13ClF2N4O2/c15-10-4-11-9(3-12(10)18-8-22)5-21(19-11)6-13(23)20-2-1-14(16,17)7-20/h3-5,8H,1-2,6-7H2,(H,18,22)
InChIKeyZPLDCNSOYRKJMF-UHFFFAOYSA-N
MW342.73 g/mol
LogP2.13
Rot. Bonds4

About N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide

N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide (PubChem CID 134422963) has the molecular formula C14H13ClF2N4O2 and a molecular weight of 342.73 g/mol. Its IUPAC name is N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide.

Molecular Properties

Compound NameN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
PubChem CID134422963
Molecular FormulaC14H13ClF2N4O2
Molecular Weight342.73 g/mol
Exact Mass342.07
IUPAC NameN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
SMILESO=CNc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl
InChIInChI=1S/C14H13ClF2N4O2/c15-10-4-11-9(3-12(10)18-8-22)5-21(19-11)6-13(23)20-2-1-14(16,17)7-20/h3-5,8H,1-2,6-7H2,(H,18,22)
InChIKeyZPLDCNSOYRKJMF-UHFFFAOYSA-N
XLogP2.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide?
The IUPAC name of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide (CID 134422963) is N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide.
What is the SMILES notation for N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide?
The canonical SMILES for N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide is O=CNc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl.
What is the InChIKey of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide?
The InChIKey is ZPLDCNSOYRKJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O2/c15-10-4-11-9(3-12(10)18-8-22)5-21(19-11)6-13(23)20-2-1-14(16,17)7-20/h3-5,8H,1-2,6-7H2,(H,18,22).
What are the key properties of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide?
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide has a molecular weight of 342.73 g/mol, XLogP of 2.13, 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-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide is sourced from PubChem (CID 134422963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).