N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine

C35H37N7O2S — CID 155432681

IUPACN-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine
SMILESCC(C)(CC1CCCN(S(=O)(=O)c2ccc(Nc3ccc4[nH]ccc4c3)nc2)C1)c1cccc(Nc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C35H37N7O2S/c1-35(2,32-6-3-7-34(41-32)40-28-9-12-31-26(20-28)15-17-37-31)21-24-5-4-18-42(23-24)45(43,44)29-10-13-33(38-22-29)39-27-8-11-30-25(19-27)14-16-36-30/h3,6-17,19-20,22,24,36-37H,4-5,18,21,23H2,1-2H3,(H,38,39)(H,40,41)
InChIKeyFAEUXYLEEQVEJE-UHFFFAOYSA-N
MW619.80 g/mol
LogP7.70
Rot. Bonds9

About N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine

N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine (PubChem CID 155432681) has the molecular formula C35H37N7O2S and a molecular weight of 619.80 g/mol. Its IUPAC name is N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine
PubChem CID155432681
Molecular FormulaC35H37N7O2S
Molecular Weight619.80 g/mol
Exact Mass619.27
IUPAC NameN-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine
SMILESCC(C)(CC1CCCN(S(=O)(=O)c2ccc(Nc3ccc4[nH]ccc4c3)nc2)C1)c1cccc(Nc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C35H37N7O2S/c1-35(2,32-6-3-7-34(41-32)40-28-9-12-31-26(20-28)15-17-37-31)21-24-5-4-18-42(23-24)45(43,44)29-10-13-33(38-22-29)39-27-8-11-30-25(19-27)14-16-36-30/h3,6-17,19-20,22,24,36-37H,4-5,18,21,23H2,1-2H3,(H,38,39)(H,40,41)
InChIKeyFAEUXYLEEQVEJE-UHFFFAOYSA-N
XLogP7.70
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.80
LogP ≤ 57.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine with MolForge

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Related Compounds

5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
5-(1,4-diazepan-1-ylsulfonyl)-1H-indole
CID 53213438
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
4-N-(4-fluoro-3-methylphenyl)-2-N-[4-[3-[[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274920
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
5-cyclopropylsulfonyl-1H-indole
CID 67616628
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine?
The IUPAC name of N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine (CID 155432681) is N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine.
What is the SMILES notation for N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine?
The canonical SMILES for N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine is CC(C)(CC1CCCN(S(=O)(=O)c2ccc(Nc3ccc4[nH]ccc4c3)nc2)C1)c1cccc(Nc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine?
The InChIKey is FAEUXYLEEQVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O2S/c1-35(2,32-6-3-7-34(41-32)40-28-9-12-31-26(20-28)15-17-37-31)21-24-5-4-18-42(23-24)45(43,44)29-10-13-33(38-22-29)39-27-8-11-30-25(19-27)14-16-36-30/h3,6-17,19-20,22,24,36-37H,4-5,18,21,23H2,1-2H3,(H,38,39)(H,40,41).
What are the key properties of N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine?
N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine has a molecular weight of 619.80 g/mol, XLogP of 7.70, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[2-[6-(1H-indol-5-ylamino)-2-pyridinyl]-2-methylpropyl]piperidin-1-yl]sulfonyl-2-pyridinyl]-1H-indol-5-amine is sourced from PubChem (CID 155432681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).