6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine

C18H19N7 — CID 68879370

IUPAC6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCC1=NCCc2ccc(Nc3cncc(Nc4cc(C)[nH]n4)n3)cc21
InChIInChI=1S/C18H19N7/c1-11-7-16(25-24-11)22-18-10-19-9-17(23-18)21-14-4-3-13-5-6-20-12(2)15(13)8-14/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22,23,24,25)
InChIKeySAHOMEICNJOQSS-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.36
Rot. Bonds4

About 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine

6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (PubChem CID 68879370) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
PubChem CID68879370
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCC1=NCCc2ccc(Nc3cncc(Nc4cc(C)[nH]n4)n3)cc21
InChIInChI=1S/C18H19N7/c1-11-7-16(25-24-11)22-18-10-19-9-17(23-18)21-14-4-3-13-5-6-20-12(2)15(13)8-14/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22,23,24,25)
InChIKeySAHOMEICNJOQSS-UHFFFAOYSA-N
XLogP3.36
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
CID 68941368
methyl N-cyano-N-[3-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
CID 87648041
N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 87864007
8-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-1,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-2-one
CID 68997052
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]oxazolo[5,4-c]pyridin-7-amine
CID 69196784
2-fluorobenzaldehyde;N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 87864006
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 20607287
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
2-(4-hydrazinylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 138461050

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (CID 68879370) is 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is CC1=NCCc2ccc(Nc3cncc(Nc4cc(C)[nH]n4)n3)cc21.
What is the InChIKey of 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The InChIKey is SAHOMEICNJOQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-11-7-16(25-24-11)22-18-10-19-9-17(23-18)21-14-4-3-13-5-6-20-12(2)15(13)8-14/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine has a molecular weight of 333.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 68879370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).