N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide

C20H19FN4O2 — CID 135343299

IUPACN-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1nccc(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3F)cc2c1
InChIInChI=1S/C20H19FN4O2/c1-10-3-4-23-20(27-2)18(10)12-5-11-7-17(24-9-14(11)16(22)6-12)25-19(26)13-8-15(13)21/h3-7,9,13,15H,8,22H2,1-2H3,(H,24,25,26)
InChIKeyBSFGHTMUDOODDD-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.49
Rot. Bonds4

About N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide

N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135343299) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135343299
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1nccc(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3F)cc2c1
InChIInChI=1S/C20H19FN4O2/c1-10-3-4-23-20(27-2)18(10)12-5-11-7-17(24-9-14(11)16(22)6-12)25-19(26)13-8-15(13)21/h3-7,9,13,15H,8,22H2,1-2H3,(H,24,25,26)
InChIKeyBSFGHTMUDOODDD-UHFFFAOYSA-N
XLogP3.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135343299) is N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is COc1nccc(C)c1-c1cc(N)c2cnc(NC(=O)C3CC3F)cc2c1.
What is the InChIKey of N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BSFGHTMUDOODDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-10-3-4-23-20(27-2)18(10)12-5-11-7-17(24-9-14(11)16(22)6-12)25-19(26)13-8-15(13)21/h3-7,9,13,15H,8,22H2,1-2H3,(H,24,25,26).
What are the key properties of N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(2-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135343299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).