7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine

C26H30N8O2 — CID 118503931

IUPAC7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C26H30N8O2/c1-18(2)19-11-26(33-29-14-19)32-25-4-3-23-24(31-25)13-21(16-28-23)30-20-12-22(17-27-15-20)36-10-7-34-5-8-35-9-6-34/h3-4,11-18,30H,5-10H2,1-2H3,(H,31,32,33)
InChIKeyHAPWGKYPXRDKTB-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.14
Rot. Bonds9

About 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine

7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118503931) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID118503931
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C26H30N8O2/c1-18(2)19-11-26(33-29-14-19)32-25-4-3-23-24(31-25)13-21(16-28-23)30-20-12-22(17-27-15-20)36-10-7-34-5-8-35-9-6-34/h3-4,11-18,30H,5-10H2,1-2H3,(H,31,32,33)
InChIKeyHAPWGKYPXRDKTB-UHFFFAOYSA-N
XLogP4.14
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (CID 118503931) is 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is CC(C)c1cnnc(Nc2ccc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is HAPWGKYPXRDKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-18(2)19-11-26(33-29-14-19)32-25-4-3-23-24(31-25)13-21(16-28-23)30-20-12-22(17-27-15-20)36-10-7-34-5-8-35-9-6-34/h3-4,11-18,30H,5-10H2,1-2H3,(H,31,32,33).
What are the key properties of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 486.58 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118503931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).