1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one

C19H22N8O2 — CID 122658945

IUPAC1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CCN1
InChIInChI=1S/C19H22N8O2/c28-16-4-6-26(7-5-20-16)18-22-17(13-2-1-3-15-14(13)12-21-25-15)23-19(24-18)27-8-10-29-11-9-27/h1-3,12H,4-11H2,(H,20,28)(H,21,25)
InChIKeyYJCDNUFWJYRFFI-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.58
Rot. Bonds3

About 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one

1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one (PubChem CID 122658945) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
PubChem CID122658945
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CCN1
InChIInChI=1S/C19H22N8O2/c28-16-4-6-26(7-5-20-16)18-22-17(13-2-1-3-15-14(13)12-21-25-15)23-19(24-18)27-8-10-29-11-9-27/h1-3,12H,4-11H2,(H,20,28)(H,21,25)
InChIKeyYJCDNUFWJYRFFI-UHFFFAOYSA-N
XLogP0.58
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one with MolForge

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Related Compounds

4-[[4-fluoro-3-[4-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155528446
4-[[4-fluoro-3-[4-[4-(1H-indazol-6-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 155543524
N-[3-(dimethylamino)propyl]-6-(1H-indazol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 46946248
6-(1H-indazol-4-yl)-N-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 57391333
6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 57391334
6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 57391335
6-(1H-indazol-4-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 57398383
N-[2-(dimethylamino)ethyl]-6-(1H-indazol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 57400040
N-ethyl-6-(1H-indazol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 57403556
3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide
CID 60161905
4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 60162169
3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 60162301

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one (CID 122658945) is 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one is O=C1CCN(c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CCN1.
What is the InChIKey of 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one?
The InChIKey is YJCDNUFWJYRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c28-16-4-6-26(7-5-20-16)18-22-17(13-2-1-3-15-14(13)12-21-25-15)23-19(24-18)27-8-10-29-11-9-27/h1-3,12H,4-11H2,(H,20,28)(H,21,25).
What are the key properties of 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one?
1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one has a molecular weight of 394.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 122658945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).