N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine

C20H22N4O2 — CID 38050159

IUPACN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine
SMILESCOc1cc2c(cc1CNCc1ccnc(-n3cccn3)c1)O[C@H](C)C2
InChIInChI=1S/C20H22N4O2/c1-14-8-16-10-18(25-2)17(11-19(16)26-14)13-21-12-15-4-6-22-20(9-15)24-7-3-5-23-24/h3-7,9-11,14,21H,8,12-13H2,1-2H3/t14-/m1/s1
InChIKeyVWOJMSGAZAWUPE-CQSZACIVSA-N
MW350.42 g/mol
LogP2.89
Rot. Bonds6

About N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine

N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine (PubChem CID 38050159) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine
PubChem CID38050159
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine
SMILESCOc1cc2c(cc1CNCc1ccnc(-n3cccn3)c1)O[C@H](C)C2
InChIInChI=1S/C20H22N4O2/c1-14-8-16-10-18(25-2)17(11-19(16)26-14)13-21-12-15-4-6-22-20(9-15)24-7-3-5-23-24/h3-7,9-11,14,21H,8,12-13H2,1-2H3/t14-/m1/s1
InChIKeyVWOJMSGAZAWUPE-CQSZACIVSA-N
XLogP2.89
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 38054136
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111382137
1-(3-butoxy-4-methoxyphenyl)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]methanamine
CID 112823345
(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 38055468
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744587
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine?
The IUPAC name of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine (CID 38050159) is N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine is COc1cc2c(cc1CNCc1ccnc(-n3cccn3)c1)O[C@H](C)C2.
What is the InChIKey of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine?
The InChIKey is VWOJMSGAZAWUPE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-8-16-10-18(25-2)17(11-19(16)26-14)13-21-12-15-4-6-22-20(9-15)24-7-3-5-23-24/h3-7,9-11,14,21H,8,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine?
N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine has a molecular weight of 350.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 38050159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).