2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine

C25H27N5O — CID 45220015

IUPAC2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(C(CNCc2cn[nH]c2-c2cccc3ccccc23)N2CCOCC2)nc1
InChIInChI=1S/C25H27N5O/c1-2-8-21-19(6-1)7-5-9-22(21)25-20(17-28-29-25)16-26-18-24(23-10-3-4-11-27-23)30-12-14-31-15-13-30/h1-11,17,24,26H,12-16,18H2,(H,28,29)
InChIKeyTYKAIDIEXITFKZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.79
Rot. Bonds7

About 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine

2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 45220015) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID45220015
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(C(CNCc2cn[nH]c2-c2cccc3ccccc23)N2CCOCC2)nc1
InChIInChI=1S/C25H27N5O/c1-2-8-21-19(6-1)7-5-9-22(21)25-20(17-28-29-25)16-26-18-24(23-10-3-4-11-27-23)30-12-14-31-15-13-30/h1-11,17,24,26H,12-16,18H2,(H,28,29)
InChIKeyTYKAIDIEXITFKZ-UHFFFAOYSA-N
XLogP3.79
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine (CID 45220015) is 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine is c1ccc(C(CNCc2cn[nH]c2-c2cccc3ccccc23)N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is TYKAIDIEXITFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-8-21-19(6-1)7-5-9-22(21)25-20(17-28-29-25)16-26-18-24(23-10-3-4-11-27-23)30-12-14-31-15-13-30/h1-11,17,24,26H,12-16,18H2,(H,28,29).
What are the key properties of 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 413.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 45220015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).