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

C25H32N8O — CID 156566278

IUPAC2-[(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
SMILESCc1c(-c2[nH]c3ccc(N[C@H]4C[C@@H](C)N(CC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N8O/c1-13(2)22-23(18-10-33-25(27-12-28-33)16(5)15(18)4)30-19-6-7-21(31-24(19)22)29-17-8-14(3)32(9-17)11-20(26)34/h6-7,10,12-14,17,30H,8-9,11H2,1-5H3,(H2,26,34)(H,29,31)/t14-,17+/m1/s1
InChIKeyGTNPPQNTJFONSB-PBHICJAKSA-N
MW460.59 g/mol
LogP3.37
Rot. Bonds6

About 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

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 (PubChem CID 156566278) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID156566278
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name2-[(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
SMILESCc1c(-c2[nH]c3ccc(N[C@H]4C[C@@H](C)N(CC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N8O/c1-13(2)22-23(18-10-33-25(27-12-28-33)16(5)15(18)4)30-19-6-7-21(31-24(19)22)29-17-8-14(3)32(9-17)11-20(26)34/h6-7,10,12-14,17,30H,8-9,11H2,1-5H3,(H2,26,34)(H,29,31)/t14-,17+/m1/s1
InChIKeyGTNPPQNTJFONSB-PBHICJAKSA-N
XLogP3.37
TPSA117.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-(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
[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
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
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-(dimethylamino)-1-[(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]propan-1-one
CID 138686415
1-[(2R,5S)-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]-2,5-dimethylpiperazin-1-yl]-2-[di(propan-2-yl)amino]ethanone
CID 138686992
2-[tert-butyl(methyl)amino]-1-[(2R,6R)-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]-2,6-dimethylpiperazin-1-yl]ethanone
CID 138686556
3-[[(4R)-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]pentan-2-yl]amino]-N,N-dimethylpropanamide
CID 138725610

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2[nH]c3ccc(N[C@H]4C[C@@H](C)N(CC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 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?
The InChIKey is GTNPPQNTJFONSB-PBHICJAKSA-N. The full InChI is InChI=1S/C25H32N8O/c1-13(2)22-23(18-10-33-25(27-12-28-33)16(5)15(18)4)30-19-6-7-21(31-24(19)22)29-17-8-14(3)32(9-17)11-20(26)34/h6-7,10,12-14,17,30H,8-9,11H2,1-5H3,(H2,26,34)(H,29,31)/t14-,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 460.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156566278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).