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

C23H31N5 — CID 150934844

IUPAC6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine
SMILESCc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cc3[nH]ccc23)nc(C(C)C)c1
InChIInChI=1S/C23H31N5/c1-14(2)20-10-15(3)11-23(27-20)28-22-13-16(12-21-17(22)8-9-25-21)26-19-7-5-4-6-18(19)24/h8-14,18-19,25-26H,4-7,24H2,1-3H3,(H,27,28)/t18-,19+/m0/s1
InChIKeyLGUNBAUGDYFTDP-RBUKOAKNSA-N
MW377.54 g/mol
LogP5.42
Rot. Bonds5

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

6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine (PubChem CID 150934844) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine
PubChem CID150934844
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine
SMILESCc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cc3[nH]ccc23)nc(C(C)C)c1
InChIInChI=1S/C23H31N5/c1-14(2)20-10-15(3)11-23(27-20)28-22-13-16(12-21-17(22)8-9-25-21)26-19-7-5-4-6-18(19)24/h8-14,18-19,25-26H,4-7,24H2,1-3H3,(H,27,28)/t18-,19+/m0/s1
InChIKeyLGUNBAUGDYFTDP-RBUKOAKNSA-N
XLogP5.42
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.54
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-[6-(triazol-2-yl)-2-pyridinyl]-1H-indole-4,6-diamine
CID 151962838
4-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]benzamide
CID 71523126
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
CID 123884979
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
trans-(1S,2S)-2-N-(2-chloro-6-methylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97162846
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine?
The IUPAC name of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine (CID 150934844) is 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine.
What is the SMILES notation for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine?
The canonical SMILES for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine is Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cc3[nH]ccc23)nc(C(C)C)c1.
What is the InChIKey of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine?
The InChIKey is LGUNBAUGDYFTDP-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H31N5/c1-14(2)20-10-15(3)11-23(27-20)28-22-13-16(12-21-17(22)8-9-25-21)26-19-7-5-4-6-18(19)24/h8-14,18-19,25-26H,4-7,24H2,1-3H3,(H,27,28)/t18-,19+/m0/s1.
What are the key properties of 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine?
6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine has a molecular weight of 377.54 g/mol, XLogP of 5.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-methyl-6-propan-2-yl-2-pyridinyl)-1H-indole-4,6-diamine is sourced from PubChem (CID 150934844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).