3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C22H21FN6 — CID 67521365

IUPAC3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(F)ccc2cn1
InChIInChI=1S/C22H21FN6/c23-18-2-1-14-10-26-21(9-15(14)7-18)20-8-16(11-27-22(20)24)17-12-28-29(13-17)19-3-5-25-6-4-19/h1-2,7-13,19,25H,3-6H2,(H2,24,27)
InChIKeyMKOZUCRTZWWJEN-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.81
Rot. Bonds3

About 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67521365) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID67521365
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(F)ccc2cn1
InChIInChI=1S/C22H21FN6/c23-18-2-1-14-10-26-21(9-15(14)7-18)20-8-16(11-27-22(20)24)17-12-28-29(13-17)19-3-5-25-6-4-19/h1-2,7-13,19,25H,3-6H2,(H2,24,27)
InChIKeyMKOZUCRTZWWJEN-UHFFFAOYSA-N
XLogP3.81
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 67521365) is 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(F)ccc2cn1.
What is the InChIKey of 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is MKOZUCRTZWWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-18-2-1-14-10-26-21(9-15(14)7-18)20-8-16(11-27-22(20)24)17-12-28-29(13-17)19-3-5-25-6-4-19/h1-2,7-13,19,25H,3-6H2,(H2,24,27).
What are the key properties of 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67521365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).