1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine

C21H33N5O — CID 136534923

IUPAC1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2ccc(N3CCOC(C)C3)nc2)cnn1C(C)(C)C
InChIInChI=1S/C21H33N5O/c1-15-14-25(9-10-27-15)20-8-7-18(12-23-20)11-22-16(2)19-13-24-26(17(19)3)21(4,5)6/h7-8,12-13,15-16,22H,9-11,14H2,1-6H3
InChIKeySTDHEVQUOYPJSR-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.42
Rot. Bonds5

About 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine

1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 136534923) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID136534923
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2ccc(N3CCOC(C)C3)nc2)cnn1C(C)(C)C
InChIInChI=1S/C21H33N5O/c1-15-14-25(9-10-27-15)20-8-7-18(12-23-20)11-22-16(2)19-13-24-26(17(19)3)21(4,5)6/h7-8,12-13,15-16,22H,9-11,14H2,1-6H3
InChIKeySTDHEVQUOYPJSR-UHFFFAOYSA-N
XLogP3.42
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049273

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine (CID 136534923) is 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine is Cc1c(C(C)NCc2ccc(N3CCOC(C)C3)nc2)cnn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is STDHEVQUOYPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-15-14-25(9-10-27-15)20-8-7-18(12-23-20)11-22-16(2)19-13-24-26(17(19)3)21(4,5)6/h7-8,12-13,15-16,22H,9-11,14H2,1-6H3.
What are the key properties of 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 371.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-methylpyrazol-4-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 136534923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).