2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine

C44H59N11O6 — CID 164953002

IUPAC2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine
SMILESCCOc1cc(N)ncc1CC(=O)c1ccn(C(C)C)n1.CCOc1cc(N)ncc1N.CCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H28N4O3.C15H20N4O2.C7H11N3O/c1-4-29-21-11-22-23-18(9-16-6-8-28-14-16)13-25(22)12-17(21)10-20(27)19-5-7-26(24-19)15(2)3;1-4-21-14-8-15(16)17-9-11(14)7-13(20)12-5-6-19(18-12)10(2)3;1-2-11-6-3-7(9)10-4-5(6)8/h5,7,11-13,15-16H,4,6,8-10,14H2,1-3H3;5-6,8-10H,4,7H2,1-3H3,(H2,16,17);3-4H,2,8H2,1H3,(H2,9,10)
InChIKeyAUFDOKGWGIQPDH-UHFFFAOYSA-N
MW838.03 g/mol
LogP6.42
Rot. Bonds16

About 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine

2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine (PubChem CID 164953002) has the molecular formula C44H59N11O6 and a molecular weight of 838.03 g/mol. Its IUPAC name is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine
PubChem CID164953002
Molecular FormulaC44H59N11O6
Molecular Weight838.03 g/mol
Exact Mass837.46
IUPAC Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine
SMILESCCOc1cc(N)ncc1CC(=O)c1ccn(C(C)C)n1.CCOc1cc(N)ncc1N.CCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H28N4O3.C15H20N4O2.C7H11N3O/c1-4-29-21-11-22-23-18(9-16-6-8-28-14-16)13-25(22)12-17(21)10-20(27)19-5-7-26(24-19)15(2)3;1-4-21-14-8-15(16)17-9-11(14)7-13(20)12-5-6-19(18-12)10(2)3;1-2-11-6-3-7(9)10-4-5(6)8/h5,7,11-13,15-16H,4,6,8-10,14H2,1-3H3;5-6,8-10H,4,7H2,1-3H3,(H2,16,17);3-4H,2,8H2,1H3,(H2,9,10)
InChIKeyAUFDOKGWGIQPDH-UHFFFAOYSA-N
XLogP6.42
TPSA227.84 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine (CID 164953002) is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine is CCOc1cc(N)ncc1CC(=O)c1ccn(C(C)C)n1.CCOc1cc(N)ncc1N.CCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine?
The InChIKey is AUFDOKGWGIQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.C15H20N4O2.C7H11N3O/c1-4-29-21-11-22-23-18(9-16-6-8-28-14-16)13-25(22)12-17(21)10-20(27)19-5-7-26(24-19)15(2)3;1-4-21-14-8-15(16)17-9-11(14)7-13(20)12-5-6-19(18-12)10(2)3;1-2-11-6-3-7(9)10-4-5(6)8/h5,7,11-13,15-16H,4,6,8-10,14H2,1-3H3;5-6,8-10H,4,7H2,1-3H3,(H2,16,17);3-4H,2,8H2,1H3,(H2,9,10).
What are the key properties of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine?
2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine has a molecular weight of 838.03 g/mol, XLogP of 6.42, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 164953002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).