N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine

C20H24N4O — CID 167830379

IUPACN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2cnccc2c1
InChIInChI=1S/C20H24N4O/c1-2-24-19(8-10-23-24)20-17(4-3-11-25-20)14-22-18-6-5-16-13-21-9-7-15(16)12-18/h5-10,12-13,17,20,22H,2-4,11,14H2,1H3/t17-,20+/m0/s1
InChIKeyHXIJZHJNEOFWDH-FXAWDEMLSA-N
MW336.44 g/mol
LogP4.03
Rot. Bonds5

About N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine (PubChem CID 167830379) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
PubChem CID167830379
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2cnccc2c1
InChIInChI=1S/C20H24N4O/c1-2-24-19(8-10-23-24)20-17(4-3-11-25-20)14-22-18-6-5-16-13-21-9-7-15(16)12-18/h5-10,12-13,17,20,22H,2-4,11,14H2,1H3/t17-,20+/m0/s1
InChIKeyHXIJZHJNEOFWDH-FXAWDEMLSA-N
XLogP4.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 131961800
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 167829016
(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 167757142
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 128976265
1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
CID 167905175
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 129007044
3-N,3-N-dimethyl-5-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 154761414

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine?
The IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine (CID 167830379) is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine?
The canonical SMILES for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine is CCn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2cnccc2c1.
What is the InChIKey of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine?
The InChIKey is HXIJZHJNEOFWDH-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-19(8-10-23-24)20-17(4-3-11-25-20)14-22-18-6-5-16-13-21-9-7-15(16)12-18/h5-10,12-13,17,20,22H,2-4,11,14H2,1H3/t17-,20+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine?
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine is sourced from PubChem (CID 167830379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).