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

C20H19FN4O2 — CID 135343226

IUPACcis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c(C)n1
InChIInChI=1S/C20H19FN4O2/c1-10-13(3-4-19(24-10)27-2)11-5-12-7-18(23-9-15(12)17(22)6-11)25-20(26)14-8-16(14)21/h3-7,9,14,16H,8,22H2,1-2H3,(H,23,25,26)/t14-,16+/m1/s1
InChIKeyAANDSNGKTDMIIS-ZBFHGGJFSA-N
MW366.40 g/mol
LogP3.49
Rot. Bonds4

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

cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135343226) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135343226
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c(C)n1
InChIInChI=1S/C20H19FN4O2/c1-10-13(3-4-19(24-10)27-2)11-5-12-7-18(23-9-15(12)17(22)6-11)25-20(26)14-8-16(14)21/h3-7,9,14,16H,8,22H2,1-2H3,(H,23,25,26)/t14-,16+/m1/s1
InChIKeyAANDSNGKTDMIIS-ZBFHGGJFSA-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 cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-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

Related Compounds

1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
5-[(2-Methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
CID 14570319
cyclopentyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967821
cyclohexyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967913
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 145969468
5-[4-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
CID 145970638
[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 145987952
cyclobutyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145989043
N-(7-(5-methoxy-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095312
N-[7-(5-fluoro-2-methylphenyl)-5-piperidin-4-yloxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115073
N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115409
N-[7-(5-fluoro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115844

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135343226) is cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is COc1ccc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c(C)n1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is AANDSNGKTDMIIS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-10-13(3-4-19(24-10)27-2)11-5-12-7-18(23-9-15(12)17(22)6-11)25-20(26)14-8-16(14)21/h3-7,9,14,16H,8,22H2,1-2H3,(H,23,25,26)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-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 cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135343226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).