(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

C20H20N6O — CID 138606111

IUPAC(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1C[C@H]2C[C@@H]1CN2C(=O)Nc1cc2cc(-c3cnccn3)ccc2cn1
InChIInChI=1S/C20H20N6O/c1-25-11-17-8-16(25)12-26(17)20(27)24-19-7-15-6-13(2-3-14(15)9-23-19)18-10-21-4-5-22-18/h2-7,9-10,16-17H,8,11-12H2,1H3,(H,23,24,27)/t16-,17-/m1/s1
InChIKeyRKCUDDMQOOHQHF-IAGOWNOFSA-N
MW360.42 g/mol
LogP2.61
Rot. Bonds2

About (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 138606111) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID138606111
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1C[C@H]2C[C@@H]1CN2C(=O)Nc1cc2cc(-c3cnccn3)ccc2cn1
InChIInChI=1S/C20H20N6O/c1-25-11-17-8-16(25)12-26(17)20(27)24-19-7-15-6-13(2-3-14(15)9-23-19)18-10-21-4-5-22-18/h2-7,9-10,16-17H,8,11-12H2,1H3,(H,23,24,27)/t16-,17-/m1/s1
InChIKeyRKCUDDMQOOHQHF-IAGOWNOFSA-N
XLogP2.61
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606157
1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606043
(3S,4S)-3-fluoro-4-(propan-2-ylamino)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606067
(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138588528
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[1-[4-(2-fluoroethylamino)piperidin-1-yl]ethenyl]-6-pyrazin-2-ylisoquinolin-3-amine
CID 142575437
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080
3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
CID 138590974
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
CID 138559189
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (CID 138606111) is (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is CN1C[C@H]2C[C@@H]1CN2C(=O)Nc1cc2cc(-c3cnccn3)ccc2cn1.
What is the InChIKey of (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RKCUDDMQOOHQHF-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-11-17-8-16(25)12-26(17)20(27)24-19-7-15-6-13(2-3-14(15)9-23-19)18-10-21-4-5-22-18/h2-7,9-10,16-17H,8,11-12H2,1H3,(H,23,24,27)/t16-,17-/m1/s1.
What are the key properties of (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 138606111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).