2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

C26H33N5O3 — CID 90370458

IUPAC2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)n1
InChIInChI=1S/C26H33N5O3/c1-19(2)27-24(32)18-31-17-23(29-26(31)22-5-4-6-25(28-22)33-3)21-9-7-20(8-10-21)11-12-30-13-15-34-16-14-30/h4-10,17,19H,11-16,18H2,1-3H3,(H,27,32)
InChIKeySSXVRNLGDJEHCG-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.02
Rot. Bonds9

About 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370458) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370458
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)n1
InChIInChI=1S/C26H33N5O3/c1-19(2)27-24(32)18-31-17-23(29-26(31)22-5-4-6-25(28-22)33-3)21-9-7-20(8-10-21)11-12-30-13-15-34-16-14-30/h4-10,17,19H,11-16,18H2,1-3H3,(H,27,32)
InChIKeySSXVRNLGDJEHCG-UHFFFAOYSA-N
XLogP3.02
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(6-Methoxypyridin-3-Yl)-3-{[2-(Morpholin-4-Yl)ethyl]amino}-1-(2-Propoxyethyl)pyrido[3,4-B]pyrazin-2(1h)-One
CID 11993169
7-(6-Methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
CID 45486504
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyethyl)-1,2-dihydropyrido[3,4-b]pyrazin-3-ylamino)-N,N-dimethylacetamide
CID 11992443
3-(2-ethoxyethylamino)-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
CID 11992529
3-(2-(dimethylamino)ethylamino)-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
CID 11992631
2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyethyl)-1,2-dihydropyrido[3,4-b]pyrazin-3-ylamino)-N-methylacetamide
CID 11992831
rac-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-((tetrahydrofuran-2-yl)methylamino)pyrido[3,4-b]pyrazin-2(1H)-one
CID 11993171
7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993244
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993342
2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyethyl)-1,2-dihydropyrido[2,3-b]pyrazin-3-ylamino)-N-methylacetamide
CID 11993435
7-(6-methoxypyridin-3-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
CID 11993465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370458) is 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SSXVRNLGDJEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19(2)27-24(32)18-31-17-23(29-26(31)22-5-4-6-25(28-22)33-3)21-9-7-20(8-10-21)11-12-30-13-15-34-16-14-30/h4-10,17,19H,11-16,18H2,1-3H3,(H,27,32).
What are the key properties of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 463.58 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).