5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine

C19H13ClFN5 — CID 67521023

IUPAC5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3cc4c(Cl)ccc(F)c4cn3)c2)cn1
InChIInChI=1S/C19H13ClFN5/c20-15-2-3-16(21)14-9-24-17(6-12(14)15)13-5-11(8-26-19(13)23)10-1-4-18(22)25-7-10/h1-9H,(H2,22,25)(H2,23,26)
InChIKeyZHCNHSQIVLLPRM-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.32
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine

5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine (PubChem CID 67521023) has the molecular formula C19H13ClFN5 and a molecular weight of 365.80 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
PubChem CID67521023
Molecular FormulaC19H13ClFN5
Molecular Weight365.80 g/mol
Exact Mass365.08
IUPAC Name5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3cc4c(Cl)ccc(F)c4cn3)c2)cn1
InChIInChI=1S/C19H13ClFN5/c20-15-2-3-16(21)14-9-24-17(6-12(14)15)13-5-11(8-26-19(13)23)10-1-4-18(22)25-7-10/h1-9H,(H2,22,25)(H2,23,26)
InChIKeyZHCNHSQIVLLPRM-UHFFFAOYSA-N
XLogP4.32
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine (CID 67521023) is 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine is Nc1ccc(-c2cnc(N)c(-c3cc4c(Cl)ccc(F)c4cn3)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
The InChIKey is ZHCNHSQIVLLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5/c20-15-2-3-16(21)14-9-24-17(6-12(14)15)13-5-11(8-26-19(13)23)10-1-4-18(22)25-7-10/h1-9H,(H2,22,25)(H2,23,26).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine?
5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine has a molecular weight of 365.80 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine is sourced from PubChem (CID 67521023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).