N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide

C19H18FN5O — CID 135342356

IUPACN-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C19H18FN5O/c1-9-13(6-23-8-15(9)21)12-4-11-5-16(25-19(26)10-2-3-10)24-7-14(11)18(22)17(12)20/h4-8,10H,2-3,21-22H2,1H3,(H,24,25,26)
InChIKeyARCCPOSWHXFTBJ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.26
Rot. Bonds3

About N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135342356) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135342356
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C19H18FN5O/c1-9-13(6-23-8-15(9)21)12-4-11-5-16(25-19(26)10-2-3-10)24-7-14(11)18(22)17(12)20/h4-8,10H,2-3,21-22H2,1H3,(H,24,25,26)
InChIKeyARCCPOSWHXFTBJ-UHFFFAOYSA-N
XLogP3.26
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide (CID 135342356) is N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide is Cc1c(N)cncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F.
What is the InChIKey of N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ARCCPOSWHXFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-9-13(6-23-8-15(9)21)12-4-11-5-16(25-19(26)10-2-3-10)24-7-14(11)18(22)17(12)20/h4-8,10H,2-3,21-22H2,1H3,(H,24,25,26).
What are the key properties of N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135342356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).