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

C27H37N7O2S — CID 159859254

IUPAC2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESCc1c(-c2[nH]c3ccc(N[C@H]4C[C@@H](C)N(CCCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H37N7O2S/c1-16(2)24-25(21-14-34-27(28-15-29-34)19(5)18(21)4)31-22-8-9-23(32-26(22)24)30-20-12-17(3)33(13-20)10-7-11-37(6,35)36/h8-9,14-17,20,31H,7,10-13H2,1-6H3,(H,30,32)/t17-,20+/m1/s1
InChIKeyNQXQJPMXVYFSGM-XLIONFOSSA-N
MW523.71 g/mol
LogP4.32
Rot. Bonds8

About 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 159859254) has the molecular formula C27H37N7O2S and a molecular weight of 523.71 g/mol. Its IUPAC name is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
PubChem CID159859254
Molecular FormulaC27H37N7O2S
Molecular Weight523.71 g/mol
Exact Mass523.27
IUPAC Name2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESCc1c(-c2[nH]c3ccc(N[C@H]4C[C@@H](C)N(CCCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H37N7O2S/c1-16(2)24-25(21-14-34-27(28-15-29-34)19(5)18(21)4)31-22-8-9-23(32-26(22)24)30-20-12-17(3)33(13-20)10-7-11-37(6,35)36/h8-9,14-17,20,31H,7,10-13H2,1-6H3,(H,30,32)/t17-,20+/m1/s1
InChIKeyNQXQJPMXVYFSGM-XLIONFOSSA-N
XLogP4.32
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.71
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[(2R,4S)-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]amino]-2-methylpyrrolidin-1-yl]acetamide
CID 156566278
3-[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]-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 138686377
7,8-dimethyl-6-[5-[(1S,5R)-3-(2-methylsulfonylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686718
7,8-dimethyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686650
6-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686249
6-[5-(3,5-dimethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686960
6-[5-[(2S,5S)-2,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686504
6-[5-[(2R,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138725734
[3-[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]cyclobutyl]urea
CID 166008783
7,8-dimethyl-6-[3-propan-2-yl-5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138725704
3-[(3S)-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]-3-methylpiperazin-1-yl]propanamide
CID 138686912

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 159859254) is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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(CCCS(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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is NQXQJPMXVYFSGM-XLIONFOSSA-N. The full InChI is InChI=1S/C27H37N7O2S/c1-16(2)24-25(21-14-34-27(28-15-29-34)19(5)18(21)4)31-22-8-9-23(32-26(22)24)30-20-12-17(3)33(13-20)10-7-11-37(6,35)36/h8-9,14-17,20,31H,7,10-13H2,1-6H3,(H,30,32)/t17-,20+/m1/s1.
What are the key properties of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 523.71 g/mol, XLogP of 4.32, 8 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-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 159859254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).