N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine

C26H35N7O2S — CID 142594857

IUPACN,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(S(=O)(=O)CCN(C)C)CC4)cc3c2C(C)C)cn2nnnc12
InChIInChI=1S/C26H35N7O2S/c1-17(2)24-22-15-20(19-8-10-32(11-9-19)36(34,35)13-12-31(4)5)6-7-23(22)27-25(24)21-14-18(3)26-28-29-30-33(26)16-21/h6-7,14-17,19,27H,8-13H2,1-5H3
InChIKeyOPOIZQVQJSSZQJ-UHFFFAOYSA-N
MW509.68 g/mol
LogP3.78
Rot. Bonds7

About N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine

N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine (PubChem CID 142594857) has the molecular formula C26H35N7O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine
PubChem CID142594857
Molecular FormulaC26H35N7O2S
Molecular Weight509.68 g/mol
Exact Mass509.26
IUPAC NameN,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(S(=O)(=O)CCN(C)C)CC4)cc3c2C(C)C)cn2nnnc12
InChIInChI=1S/C26H35N7O2S/c1-17(2)24-22-15-20(19-8-10-32(11-9-19)36(34,35)13-12-31(4)5)6-7-23(22)27-25(24)21-14-18(3)26-28-29-30-33(26)16-21/h6-7,14-17,19,27H,8-13H2,1-5H3
InChIKeyOPOIZQVQJSSZQJ-UHFFFAOYSA-N
XLogP3.78
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594586
2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142593718
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382
[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]-piperidin-1-ylmethanone
CID 150448803
2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655588
4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
CID 142594830
N-(2-hydroxyethyl)-N-methyl-2-[8-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155796975
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
methyl 3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanoate
CID 161420317

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine (CID 142594857) is N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine is Cc1cc(-c2[nH]c3ccc(C4CCN(S(=O)(=O)CCN(C)C)CC4)cc3c2C(C)C)cn2nnnc12.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine?
The InChIKey is OPOIZQVQJSSZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2S/c1-17(2)24-22-15-20(19-8-10-32(11-9-19)36(34,35)13-12-31(4)5)6-7-23(22)27-25(24)21-14-18(3)26-28-29-30-33(26)16-21/h6-7,14-17,19,27H,8-13H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine?
N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine has a molecular weight of 509.68 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]sulfonylethanamine is sourced from PubChem (CID 142594857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).