N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine

C15H17N5O — CID 106540865

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3cnn(C)c3N)c2c1
InChIInChI=1S/C15H17N5O/c1-20-14(16)11(9-19-20)8-18-15-13-7-12(21-2)4-3-10(13)5-6-17-15/h3-7,9H,8,16H2,1-2H3,(H,17,18)
InChIKeyRUQAVLLDYGWOGV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.17
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine (PubChem CID 106540865) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
PubChem CID106540865
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3cnn(C)c3N)c2c1
InChIInChI=1S/C15H17N5O/c1-20-14(16)11(9-19-20)8-18-15-13-7-12(21-2)4-3-10(13)5-6-17-15/h3-7,9H,8,16H2,1-2H3,(H,17,18)
InChIKeyRUQAVLLDYGWOGV-UHFFFAOYSA-N
XLogP2.17
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
4-[(4-methoxy-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 79524317
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 79523703
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106539104
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
CID 106540003

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine (CID 106540865) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NCc3cnn(C)c3N)c2c1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine?
The InChIKey is RUQAVLLDYGWOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-14(16)11(9-19-20)8-18-15-13-7-12(21-2)4-3-10(13)5-6-17-15/h3-7,9H,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine has a molecular weight of 283.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106540865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).