3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

C18H18FN7S — CID 122419068

IUPAC3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESFC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1
InChIInChI=1S/C18H18FN7S/c19-11-3-6-26(7-4-11)10-14-16-15(27-25-14)8-12(9-21-16)22-18-17-13(23-24-18)2-1-5-20-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,22,23,24)
InChIKeyRDRQHYJCCHVFHN-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.64
Rot. Bonds4

About 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 122419068) has the molecular formula C18H18FN7S and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
PubChem CID122419068
Molecular FormulaC18H18FN7S
Molecular Weight383.46 g/mol
Exact Mass383.13
IUPAC Name3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESFC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1
InChIInChI=1S/C18H18FN7S/c19-11-3-6-26(7-4-11)10-14-16-15(27-25-14)8-12(9-21-16)22-18-17-13(23-24-18)2-1-5-20-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,22,23,24)
InChIKeyRDRQHYJCCHVFHN-UHFFFAOYSA-N
XLogP3.64
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (CID 122419068) is 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is FC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.
What is the InChIKey of 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is RDRQHYJCCHVFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7S/c19-11-3-6-26(7-4-11)10-14-16-15(27-25-14)8-12(9-21-16)22-18-17-13(23-24-18)2-1-5-20-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,22,23,24).
What are the key properties of 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 383.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoropiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 122419068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).