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

C20H20FN5O2 — CID 140921340

IUPACcyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)OCC3CC3)ncc2c(N)c1F
InChIInChI=1S/C20H20FN5O2/c1-10-14(6-24-8-16(10)22)13-4-12-5-17(25-7-15(12)19(23)18(13)21)26-20(27)28-9-11-2-3-11/h4-8,11H,2-3,9,22-23H2,1H3,(H,25,26,27)
InChIKeyJSVSZFKMJFEWFN-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.87
Rot. Bonds4

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

cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate (PubChem CID 140921340) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate
PubChem CID140921340
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Namecyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)OCC3CC3)ncc2c(N)c1F
InChIInChI=1S/C20H20FN5O2/c1-10-14(6-24-8-16(10)22)13-4-12-5-17(25-7-15(12)19(23)18(13)21)26-20(27)28-9-11-2-3-11/h4-8,11H,2-3,9,22-23H2,1H3,(H,25,26,27)
InChIKeyJSVSZFKMJFEWFN-UHFFFAOYSA-N
XLogP3.87
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
CID 67450369
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
tetrahydro-2H-pyran-4-yl (8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisouinolin-3-carbamate-yl)carbamate
CID 135342866
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141
trans-N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)-2-cyanocyclopropane-1-carboxamide
CID 140921451
Carbamic acid, (5-amino-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 100639
methyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]carbamate
CID 66575905
propan-2-yl N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]carbamate
CID 66576222
2-methoxyethyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]carbamate
CID 68386124
methyl N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]carbamate
CID 68386163
prop-2-ynyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]carbamate
CID 88962303
N-(7-(5-amino-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57410129

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate?
The IUPAC name of cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate (CID 140921340) is cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate is Cc1c(N)cncc1-c1cc2cc(NC(=O)OCC3CC3)ncc2c(N)c1F.
What is the InChIKey of cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate?
The InChIKey is JSVSZFKMJFEWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-10-14(6-24-8-16(10)22)13-4-12-5-17(25-7-15(12)19(23)18(13)21)26-20(27)28-9-11-2-3-11/h4-8,11H,2-3,9,22-23H2,1H3,(H,25,26,27).
What are the key properties of cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate?
cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate has a molecular weight of 381.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate is sourced from PubChem (CID 140921340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).