4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline

C14H11ClF2N4O — CID 165125853

IUPAC4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline
SMILESCc1nn(-c2ccc(N)cc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H11ClF2N4O/c1-7-9-6-19-13(15)5-11(9)21(20-7)10-3-2-8(18)4-12(10)22-14(16)17/h2-6,14H,18H2,1H3
InChIKeyKNEZDXPRVLZHQV-UHFFFAOYSA-N
MW324.72 g/mol
LogP3.57
Rot. Bonds3

About 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline

4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline (PubChem CID 165125853) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline.

Molecular Properties

Compound Name4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline
PubChem CID165125853
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline
SMILESCc1nn(-c2ccc(N)cc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H11ClF2N4O/c1-7-9-6-19-13(15)5-11(9)21(20-7)10-3-2-8(18)4-12(10)22-14(16)17/h2-6,14H,18H2,1H3
InChIKeyKNEZDXPRVLZHQV-UHFFFAOYSA-N
XLogP3.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline?
The IUPAC name of 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline (CID 165125853) is 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline.
What is the SMILES notation for 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline?
The canonical SMILES for 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline is Cc1nn(-c2ccc(N)cc2OC(F)F)c2cc(Cl)ncc12.
What is the InChIKey of 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline?
The InChIKey is KNEZDXPRVLZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4O/c1-7-9-6-19-13(15)5-11(9)21(20-7)10-3-2-8(18)4-12(10)22-14(16)17/h2-6,14H,18H2,1H3.
What are the key properties of 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline?
4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline has a molecular weight of 324.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-(difluoromethoxy)aniline is sourced from PubChem (CID 165125853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).