(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine

C18H27N5O — CID 95148273

IUPAC(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCC[C@](C)(CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-3-18(2,23-7-9-24-10-8-23)14-20-12-16-13-21-22-17(16)15-5-4-6-19-11-15/h4-6,11,13,20H,3,7-10,12,14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyNREPKSKUQVGAAN-GOSISDBHSA-N
MW329.45 g/mol
LogP2.06
Rot. Bonds7

About (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine

(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine (PubChem CID 95148273) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
PubChem CID95148273
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCC[C@](C)(CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-3-18(2,23-7-9-24-10-8-23)14-20-12-16-13-21-22-17(16)15-5-4-6-19-11-15/h4-6,11,13,20H,3,7-10,12,14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyNREPKSKUQVGAAN-GOSISDBHSA-N
XLogP2.06
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066242
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine
CID 86808720
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95145763
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
CID 104587038
4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 115989344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine (CID 95148273) is (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine is CC[C@](C)(CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1.
What is the InChIKey of (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is NREPKSKUQVGAAN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-18(2,23-7-9-24-10-8-23)14-20-12-16-13-21-22-17(16)15-5-4-6-19-11-15/h4-6,11,13,20H,3,7-10,12,14H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 329.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 95148273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).