5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine

C17H19FN4OS — CID 170616611

IUPAC5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine
SMILESCOc1cn2ncc(-c3ccc(N)nc3F)c2cc1SC(C)(C)C
InChIInChI=1S/C17H19FN4OS/c1-17(2,3)24-14-7-12-11(8-20-22(12)9-13(14)23-4)10-5-6-15(19)21-16(10)18/h5-9H,1-4H3,(H2,19,21)
InChIKeyYTOWCNPOCJLZGV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.02
Rot. Bonds3

About 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine

5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine (PubChem CID 170616611) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine
PubChem CID170616611
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine
SMILESCOc1cn2ncc(-c3ccc(N)nc3F)c2cc1SC(C)(C)C
InChIInChI=1S/C17H19FN4OS/c1-17(2,3)24-14-7-12-11(8-20-22(12)9-13(14)23-4)10-5-6-15(19)21-16(10)18/h5-9H,1-4H3,(H2,19,21)
InChIKeyYTOWCNPOCJLZGV-UHFFFAOYSA-N
XLogP4.02
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
CID 170616408
2-tert-butylsulfanyl-4,5-dimethoxyaniline
CID 83008107
(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 178094064
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 141199628
6-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130094665
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
CID 156543346
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol
CID 172632050
2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505600

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The IUPAC name of 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine (CID 170616611) is 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine is COc1cn2ncc(-c3ccc(N)nc3F)c2cc1SC(C)(C)C.
What is the InChIKey of 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The InChIKey is YTOWCNPOCJLZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-17(2,3)24-14-7-12-11(8-20-22(12)9-13(14)23-4)10-5-6-15(19)21-16(10)18/h5-9H,1-4H3,(H2,19,21).
What are the key properties of 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 170616611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).