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

C26H30N8O2 — CID 118497394

IUPAC7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(-c2cc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3nc2N)c1
InChIInChI=1S/C26H30N8O2/c1-17(2)18-9-23(33-30-13-18)22-12-24-25(32-26(22)27)11-20(15-29-24)31-19-10-21(16-28-14-19)36-8-5-34-3-6-35-7-4-34/h9-17,31H,3-8H2,1-2H3,(H2,27,32)
InChIKeyPLFKFHVOEVLWAR-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.64
Rot. Bonds8

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

7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118497394) 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]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID118497394
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(-c2cc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3nc2N)c1
InChIInChI=1S/C26H30N8O2/c1-17(2)18-9-23(33-30-13-18)22-12-24-25(32-26(22)27)11-20(15-29-24)31-19-10-21(16-28-14-19)36-8-5-34-3-6-35-7-4-34/h9-17,31H,3-8H2,1-2H3,(H2,27,32)
InChIKeyPLFKFHVOEVLWAR-UHFFFAOYSA-N
XLogP3.64
TPSA124.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.64
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]-3-(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]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (CID 118497394) is 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(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]-3-(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]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is CC(C)c1cnnc(-c2cc3ncc(Nc4cncc(OCCN5CCOCC5)c4)cc3nc2N)c1.
What is the InChIKey of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is PLFKFHVOEVLWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17(2)18-9-23(33-30-13-18)22-12-24-25(32-26(22)27)11-20(15-29-24)31-19-10-21(16-28-14-19)36-8-5-34-3-6-35-7-4-34/h9-17,31H,3-8H2,1-2H3,(H2,27,32).
What are the key properties of 7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
7-N-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 486.58 g/mol, XLogP of 3.64, 8 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]-3-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118497394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).