3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one

C26H32N10O — CID 58949073

IUPAC3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one
SMILESN[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc4c(c3)-c3ccccc3C4=O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
InChIInChI=1S/C26H32N10O/c27-14-7-15(28)11-35(10-14)25-32-24(33-26(34-25)36-12-16(29)8-17(30)13-36)31-18-5-6-21-22(9-18)19-3-1-2-4-20(19)23(21)37/h1-6,9,14-17H,7-8,10-13,27-30H2,(H,31,32,33,34)/t14-,15+,16-,17+
InChIKeyNXQHYYZFCXIPQY-WNKDZCFJSA-N
MW500.61 g/mol
LogP0.56
Rot. Bonds4

About 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one

3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one (PubChem CID 58949073) has the molecular formula C26H32N10O and a molecular weight of 500.61 g/mol. Its IUPAC name is 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one.

Molecular Properties

Compound Name3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one
PubChem CID58949073
Molecular FormulaC26H32N10O
Molecular Weight500.61 g/mol
Exact Mass500.28
IUPAC Name3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one
SMILESN[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc4c(c3)-c3ccccc3C4=O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
InChIInChI=1S/C26H32N10O/c27-14-7-15(28)11-35(10-14)25-32-24(33-26(34-25)36-12-16(29)8-17(30)13-36)31-18-5-6-21-22(9-18)19-3-1-2-4-20(19)23(21)37/h1-6,9,14-17H,7-8,10-13,27-30H2,(H,31,32,33,34)/t14-,15+,16-,17+
InChIKeyNXQHYYZFCXIPQY-WNKDZCFJSA-N
XLogP0.56
TPSA178.33 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(2R,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one
CID 58949213
3-[[4-[(3R)-3-(aminomethyl)piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]fluoren-9-one
CID 58865164
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 169426364
1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104268
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(2-phenylhydrazinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949081
1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-nitroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103989
4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylbenzamide
CID 21104209
6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 58948938
(3R,5S)-1-[4-(3-chloro-4-nitroanilino)-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949227
1-[4-(4-amino-3-phenylmethoxyanilino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104166
1-[4-(3H-benzimidazol-5-ylamino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103841
5-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(sulfonylamino)phenol
CID 21103496

Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one?
The IUPAC name of 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one (CID 58949073) is 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one.
What is the SMILES notation for 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one?
The canonical SMILES for 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one is N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc4c(c3)-c3ccccc3C4=O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1.
What is the InChIKey of 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one?
The InChIKey is NXQHYYZFCXIPQY-WNKDZCFJSA-N. The full InChI is InChI=1S/C26H32N10O/c27-14-7-15(28)11-35(10-14)25-32-24(33-26(34-25)36-12-16(29)8-17(30)13-36)31-18-5-6-21-22(9-18)19-3-1-2-4-20(19)23(21)37/h1-6,9,14-17H,7-8,10-13,27-30H2,(H,31,32,33,34)/t14-,15+,16-,17+.
What are the key properties of 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one?
3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one has a molecular weight of 500.61 g/mol, XLogP of 0.56, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one is sourced from PubChem (CID 58949073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).