6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine

C21H24N8 — CID 151962838

IUPAC6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(-n3nccn3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H24N8/c22-16-4-1-2-5-17(16)26-14-12-18-15(8-9-23-18)19(13-14)27-20-6-3-7-21(28-20)29-24-10-11-25-29/h3,6-13,16-17,23,26H,1-2,4-5,22H2,(H,27,28)/t16-,17+/m0/s1
InChIKeyTZAJAIKIAFOMLC-DLBZAZTESA-N
MW388.48 g/mol
LogP3.57
Rot. Bonds5

About 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine

6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine (PubChem CID 151962838) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine
PubChem CID151962838
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(-n3nccn3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H24N8/c22-16-4-1-2-5-17(16)26-14-12-18-15(8-9-23-18)19(13-14)27-20-6-3-7-21(28-20)29-24-10-11-25-29/h3,6-13,16-17,23,26H,1-2,4-5,22H2,(H,27,28)/t16-,17+/m0/s1
InChIKeyTZAJAIKIAFOMLC-DLBZAZTESA-N
XLogP3.57
TPSA109.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine 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

6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine
CID 150934844
tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[3-(triazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354776
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
6-chloro-N-(6-cyclopropyl-2-pyridinyl)-1H-indol-4-amine
CID 151335762
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354458
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine?
The IUPAC name of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine (CID 151962838) is 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine.
What is the SMILES notation for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine?
The canonical SMILES for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine is N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(-n3nccn3)n2)c2cc[nH]c2c1.
What is the InChIKey of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine?
The InChIKey is TZAJAIKIAFOMLC-DLBZAZTESA-N. The full InChI is InChI=1S/C21H24N8/c22-16-4-1-2-5-17(16)26-14-12-18-15(8-9-23-18)19(13-14)27-20-6-3-7-21(28-20)29-24-10-11-25-29/h3,6-13,16-17,23,26H,1-2,4-5,22H2,(H,27,28)/t16-,17+/m0/s1.
What are the key properties of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine?
6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine has a molecular weight of 388.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine is sourced from PubChem (CID 151962838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).