N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine

C15H15N5 — CID 130431002

IUPACN-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine
SMILESCn1nc2c(c1Nc1cc3ccccc3cn1)CNC2
InChIInChI=1S/C15H15N5/c1-20-15(12-8-16-9-13(12)19-20)18-14-6-10-4-2-3-5-11(10)7-17-14/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyOKKKBTJYKZCJGB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.32
Rot. Bonds2

About N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine

N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine (PubChem CID 130431002) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine
PubChem CID130431002
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine
SMILESCn1nc2c(c1Nc1cc3ccccc3cn1)CNC2
InChIInChI=1S/C15H15N5/c1-20-15(12-8-16-9-13(12)19-20)18-14-6-10-4-2-3-5-11(10)7-17-14/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyOKKKBTJYKZCJGB-UHFFFAOYSA-N
XLogP2.32
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
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CID 156526894
Arylpyrazole, 23
CID 44143423
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
2-methyl-3-phenyl-5-propyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1861043
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
2,5-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1997076
5-methyl-3-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3749529
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
CID 4888039
5-tert-butyl-N-[3-(1H-imidazol-1-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4890044
3-(1-methyl-1H-pyrazol-4-yl)-N-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24815996
N-benzyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319377

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine (CID 130431002) is N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine is Cn1nc2c(c1Nc1cc3ccccc3cn1)CNC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine?
The InChIKey is OKKKBTJYKZCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-20-15(12-8-16-9-13(12)19-20)18-14-6-10-4-2-3-5-11(10)7-17-14/h2-7,16H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine?
N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine has a molecular weight of 265.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine is sourced from PubChem (CID 130431002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).