N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine

C21H21N5O2 — CID 170436075

IUPACN-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine
SMILESCOc1cc(Nc2nccc3cc(OCc4cnn(C)c4)ccc23)cnc1C
InChIInChI=1S/C21H21N5O2/c1-14-20(27-3)9-17(11-23-14)25-21-19-5-4-18(8-16(19)6-7-22-21)28-13-15-10-24-26(2)12-15/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyTVXVOVGVFVYIGB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.00
Rot. Bonds6

About N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine

N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine (PubChem CID 170436075) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine.

Molecular Properties

Compound NameN-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine
PubChem CID170436075
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine
SMILESCOc1cc(Nc2nccc3cc(OCc4cnn(C)c4)ccc23)cnc1C
InChIInChI=1S/C21H21N5O2/c1-14-20(27-3)9-17(11-23-14)25-21-19-5-4-18(8-16(19)6-7-22-21)28-13-15-10-24-26(2)12-15/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyTVXVOVGVFVYIGB-UHFFFAOYSA-N
XLogP4.00
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine?
The IUPAC name of N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine (CID 170436075) is N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine.
What is the SMILES notation for N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine?
The canonical SMILES for N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine is COc1cc(Nc2nccc3cc(OCc4cnn(C)c4)ccc23)cnc1C.
What is the InChIKey of N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine?
The InChIKey is TVXVOVGVFVYIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-20(27-3)9-17(11-23-14)25-21-19-5-4-18(8-16(19)6-7-22-21)28-13-15-10-24-26(2)12-15/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine?
N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine has a molecular weight of 375.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-6-methyl-3-pyridinyl)-6-[(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine is sourced from PubChem (CID 170436075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).