N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine

C17H19N5 — CID 59290603

IUPACN-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
SMILESCn1cc(CN2CC(Nc3ccc4cnccc4c3)C2)cn1
InChIInChI=1S/C17H19N5/c1-21-9-13(7-19-21)10-22-11-17(12-22)20-16-3-2-15-8-18-5-4-14(15)6-16/h2-9,17,20H,10-12H2,1H3
InChIKeyUDERGZPWOLTOMV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.26
Rot. Bonds4

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

N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine (PubChem CID 59290603) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
PubChem CID59290603
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
SMILESCn1cc(CN2CC(Nc3ccc4cnccc4c3)C2)cn1
InChIInChI=1S/C17H19N5/c1-21-9-13(7-19-21)10-22-11-17(12-22)20-16-3-2-15-8-18-5-4-14(15)6-16/h2-9,17,20H,10-12H2,1H3
InChIKeyUDERGZPWOLTOMV-UHFFFAOYSA-N
XLogP2.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290841
N-(1-propylazetidin-3-yl)isoquinolin-6-amine
CID 59290573
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 59290812
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25381174
N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
CID 68592235
N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
CID 59290831
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]isoquinolin-6-amine;hydrochloride
CID 24967850
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25289632
N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 68593122
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
CID 161211236

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The IUPAC name of N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine (CID 59290603) is N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine.
What is the SMILES notation for N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The canonical SMILES for N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine is Cn1cc(CN2CC(Nc3ccc4cnccc4c3)C2)cn1.
What is the InChIKey of N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The InChIKey is UDERGZPWOLTOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-9-13(7-19-21)10-22-11-17(12-22)20-16-3-2-15-8-18-5-4-14(15)6-16/h2-9,17,20H,10-12H2,1H3.
What are the key properties of N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine?
N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine has a molecular weight of 293.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine is sourced from PubChem (CID 59290603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).