9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride

C25H33ClN10O — CID 169424534

IUPAC9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](N)CN(c2nc(N3C[C@H](N)C[C@H](N)C3)nc(-n3c4ccccc4c4ccc(O)cc43)n2)C1
InChIInChI=1S/C25H32N10O.ClH/c26-14-7-15(27)11-33(10-14)23-30-24(34-12-16(28)8-17(29)13-34)32-25(31-23)35-21-4-2-1-3-19(21)20-6-5-18(36)9-22(20)35;/h1-6,9,14-17,36H,7-8,10-13,26-29H2;1H/t14-,15+,16-,17+;
InChIKeyPSXPBWDKWQXGLO-NDJDMYCYSA-N
MW525.06 g/mol
LogP0.83
Rot. Bonds3

About 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride

9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride (PubChem CID 169424534) has the molecular formula C25H33ClN10O and a molecular weight of 525.06 g/mol. Its IUPAC name is 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride.

Molecular Properties

Compound Name9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride
PubChem CID169424534
Molecular FormulaC25H33ClN10O
Molecular Weight525.06 g/mol
Exact Mass524.25
IUPAC Name9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](N)CN(c2nc(N3C[C@H](N)C[C@H](N)C3)nc(-n3c4ccccc4c4ccc(O)cc43)n2)C1
InChIInChI=1S/C25H32N10O.ClH/c26-14-7-15(27)11-33(10-14)23-30-24(34-12-16(28)8-17(29)13-34)32-25(31-23)35-21-4-2-1-3-19(21)20-6-5-18(36)9-22(20)35;/h1-6,9,14-17,36H,7-8,10-13,26-29H2;1H/t14-,15+,16-,17+;
InChIKeyPSXPBWDKWQXGLO-NDJDMYCYSA-N
XLogP0.83
TPSA174.39 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.06
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Related Compounds

9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 176647122
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol
CID 171747083
9-(1,2-dihydropyridin-6-yl)carbazol-2-ol
CID 163636559
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)carbazol-2-ol
CID 167378737
(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride?
The IUPAC name of 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride (CID 169424534) is 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride.
What is the SMILES notation for 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride?
The canonical SMILES for 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride is Cl.N[C@@H]1C[C@H](N)CN(c2nc(N3C[C@H](N)C[C@H](N)C3)nc(-n3c4ccccc4c4ccc(O)cc43)n2)C1.
What is the InChIKey of 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride?
The InChIKey is PSXPBWDKWQXGLO-NDJDMYCYSA-N. The full InChI is InChI=1S/C25H32N10O.ClH/c26-14-7-15(27)11-33(10-14)23-30-24(34-12-16(28)8-17(29)13-34)32-25(31-23)35-21-4-2-1-3-19(21)20-6-5-18(36)9-22(20)35;/h1-6,9,14-17,36H,7-8,10-13,26-29H2;1H/t14-,15+,16-,17+;.
What are the key properties of 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride?
9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride has a molecular weight of 525.06 g/mol, XLogP of 0.83, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]carbazol-2-ol;hydrochloride is sourced from PubChem (CID 169424534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).