2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine

C26H35N7O2S — CID 138725727

About 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine

2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 138725727) has the molecular formula C26H35N7O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
• PubChem CID: 138725727
• Molecular Formula: C26H35N7O2S
• Molecular Weight: 509.68 g/mol
• Exact Mass: 509.26
• IUPAC Name: 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
• SMILES: Cc1c(-c2[nH]c3ccc(N[C@@H]4C[C@H](C)N(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C26H35N7O2S/c1-15(2)23-24(20-13-33-26(27-14-28-33)18(5)17(20)4)30-21-7-8-22(31-25(21)23)29-19-11-16(3)32(12-19)9-10-36(6,34)35/h7-8,13-16,19,30H,9-12H2,1-6H3,(H,29,31)/t16-,19+/m0/s1
• InChIKey: TXTBQMANQVDXIC-QFBILLFUSA-N
• XLogP: 3.93
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.68
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine?

The IUPAC name of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 138725727) is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine.

What is the SMILES notation for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine?

The canonical SMILES for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine is Cc1c(-c2[nH]c3ccc(N[C@@H]4C[C@H](C)N(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine?

The InChIKey is TXTBQMANQVDXIC-QFBILLFUSA-N. The full InChI is InChI=1S/C26H35N7O2S/c1-15(2)23-24(20-13-33-26(27-14-28-33)18(5)17(20)4)30-21-7-8-22(31-25(21)23)29-19-11-16(3)32(12-19)9-10-36(6,34)35/h7-8,13-16,19,30H,9-12H2,1-6H3,(H,29,31)/t16-,19+/m0/s1.

What are the key properties of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine?

2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 509.68 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 138725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).