1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine

C26H25N7O2 — CID 178122225

IUPAC1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(Nc3ccc(C)cn3)ncc12
InChIInChI=1S/C26H25N7O2/c1-16-3-6-23(28-13-16)32-24-12-18-19(14-29-24)25(27-2)30-15-20(18)26-31-21-11-17(4-5-22(21)35-26)33-7-9-34-10-8-33/h3-6,11-15H,7-10H2,1-2H3,(H,27,30)(H,28,29,32)
InChIKeyTZCLAIMNDSURMV-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.76
Rot. Bonds5

About 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine

1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 178122225) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID178122225
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(Nc3ccc(C)cn3)ncc12
InChIInChI=1S/C26H25N7O2/c1-16-3-6-23(28-13-16)32-24-12-18-19(14-29-24)25(27-2)30-15-20(18)26-31-21-11-17(4-5-22(21)35-26)33-7-9-34-10-8-33/h3-6,11-15H,7-10H2,1-2H3,(H,27,30)(H,28,29,32)
InChIKeyTZCLAIMNDSURMV-UHFFFAOYSA-N
XLogP4.76
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine with MolForge

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Related Compounds

N-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677636
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174174579
ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate
CID 170626702
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243
N-[5-[5-(6-methoxy-4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182679
N-[8-(methylamino)-5-[5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;hydrochloride
CID 170626542
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
N-[5-[5-[(2S)-2-cyanoazetidin-1-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626716
N-[5-[5-(4-acetyl-6-ethyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182671
N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122717
N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627093

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine (CID 178122225) is 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine is CNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(Nc3ccc(C)cn3)ncc12.
What is the InChIKey of 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is TZCLAIMNDSURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-3-6-23(28-13-16)32-24-12-18-19(14-29-24)25(27-2)30-15-20(18)26-31-21-11-17(4-5-22(21)35-26)33-7-9-34-10-8-33/h3-6,11-15H,7-10H2,1-2H3,(H,27,30)(H,28,29,32).
What are the key properties of 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 467.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-6-N-(5-methyl-2-pyridinyl)-4-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 178122225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).