2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide

C26H35N7O2S — CID 138686550

IUPAC2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCCS(N)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C26H35N7O2S/c1-15(2)23-24(20-13-33-26(29-14-30-33)17(4)16(20)3)32-22-10-9-21(31-25(22)23)18-5-7-19(8-6-18)28-11-12-36(27,34)35/h9-10,13-15,18-19,28,32H,5-8,11-12H2,1-4H3,(H2,27,34,35)
InChIKeyPINRFUQOFUNEEZ-UHFFFAOYSA-N
MW509.68 g/mol
LogP3.92
Rot. Bonds7

About 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide

2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide (PubChem CID 138686550) has the molecular formula C26H35N7O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide
PubChem CID138686550
Molecular FormulaC26H35N7O2S
Molecular Weight509.68 g/mol
Exact Mass509.26
IUPAC Name2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCCS(N)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C26H35N7O2S/c1-15(2)23-24(20-13-33-26(29-14-30-33)17(4)16(20)3)32-22-10-9-21(31-25(22)23)18-5-7-19(8-6-18)28-11-12-36(27,34)35/h9-10,13-15,18-19,28,32H,5-8,11-12H2,1-4H3,(H2,27,34,35)
InChIKeyPINRFUQOFUNEEZ-UHFFFAOYSA-N
XLogP3.92
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide (CID 138686550) is 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide is Cc1c(-c2[nH]c3ccc(C4CCC(NCCS(N)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide?
The InChIKey is PINRFUQOFUNEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2S/c1-15(2)23-24(20-13-33-26(29-14-30-33)17(4)16(20)3)32-22-10-9-21(31-25(22)23)18-5-7-19(8-6-18)28-11-12-36(27,34)35/h9-10,13-15,18-19,28,32H,5-8,11-12H2,1-4H3,(H2,27,34,35).
What are the key properties of 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide?
2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide has a molecular weight of 509.68 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]ethanesulfonamide is sourced from PubChem (CID 138686550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).