4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine

C16H15ClF2N4O — CID 118443154

IUPAC4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C16H15ClF2N4O/c1-10-5-11(21-6-14(10)24-9-16(2,18)19)7-23-8-12-13(22-23)3-4-20-15(12)17/h3-6,8H,7,9H2,1-2H3
InChIKeyPCUXSWWTGPPWCV-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.87
Rot. Bonds5

About 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine

4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (PubChem CID 118443154) has the molecular formula C16H15ClF2N4O and a molecular weight of 352.77 g/mol. Its IUPAC name is 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
PubChem CID118443154
Molecular FormulaC16H15ClF2N4O
Molecular Weight352.77 g/mol
Exact Mass352.09
IUPAC Name4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C16H15ClF2N4O/c1-10-5-11(21-6-14(10)24-9-16(2,18)19)7-23-8-12-13(22-23)3-4-20-15(12)17/h3-6,8H,7,9H2,1-2H3
InChIKeyPCUXSWWTGPPWCV-UHFFFAOYSA-N
XLogP3.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (CID 118443154) is 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is Cc1cc(Cn2cc3c(Cl)nccc3n2)ncc1OCC(C)(F)F.
What is the InChIKey of 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The InChIKey is PCUXSWWTGPPWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O/c1-10-5-11(21-6-14(10)24-9-16(2,18)19)7-23-8-12-13(22-23)3-4-20-15(12)17/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine has a molecular weight of 352.77 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118443154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).