3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

C20H17ClFN5 — CID 68786242

IUPAC3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCC(C)c1[nH]ncc1-c1cnc(N)c(-c2cc3c(Cl)ccc(F)c3cn2)c1
InChIInChI=1S/C20H17ClFN5/c1-10(2)19-14(9-26-27-19)11-5-13(20(23)25-7-11)18-6-12-15(8-24-18)17(22)4-3-16(12)21/h3-10H,1-2H3,(H2,23,25)(H,26,27)
InChIKeyIRWRMUBLENTCBJ-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.18
Rot. Bonds3

About 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 68786242) has the molecular formula C20H17ClFN5 and a molecular weight of 381.84 g/mol. Its IUPAC name is 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID68786242
Molecular FormulaC20H17ClFN5
Molecular Weight381.84 g/mol
Exact Mass381.12
IUPAC Name3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCC(C)c1[nH]ncc1-c1cnc(N)c(-c2cc3c(Cl)ccc(F)c3cn2)c1
InChIInChI=1S/C20H17ClFN5/c1-10(2)19-14(9-26-27-19)11-5-13(20(23)25-7-11)18-6-12-15(8-24-18)17(22)4-3-16(12)21/h3-10H,1-2H3,(H2,23,25)(H,26,27)
InChIKeyIRWRMUBLENTCBJ-UHFFFAOYSA-N
XLogP5.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 67520624
3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-thiophen-3-ylpyridin-2-amine
CID 67521211
5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
CID 67520767
3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyridin-2-amine;dihydrochloride
CID 87431176
3-(8-chloro-6-fluoroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68788419
3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68785884
3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
CID 155552361
5-chloro-8-fluoro-3-methylisoquinoline
CID 169494899
3-(6,8-dichloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 68785983
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
5-chloro-3-(6-chloro-2,3-difluorophenyl)pyridin-2-amine
CID 114275267
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211266

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 68786242) is 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is CC(C)c1[nH]ncc1-c1cnc(N)c(-c2cc3c(Cl)ccc(F)c3cn2)c1.
What is the InChIKey of 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is IRWRMUBLENTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5/c1-10(2)19-14(9-26-27-19)11-5-13(20(23)25-7-11)18-6-12-15(8-24-18)17(22)4-3-16(12)21/h3-10H,1-2H3,(H2,23,25)(H,26,27).
What are the key properties of 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 381.84 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 68786242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).