2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone

C25H32N8O2 — CID 138686726

IUPAC2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(=O)CN(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N8O2/c1-16(2)22-23(17-12-19(35-5)25-26-15-27-33(25)13-17)28-18-6-7-20(29-24(18)22)31-8-10-32(11-9-31)21(34)14-30(3)4/h6-7,12-13,15-16,28H,8-11,14H2,1-5H3
InChIKeyYUHMYQQUOMUYMN-UHFFFAOYSA-N
MW476.59 g/mol
LogP2.61
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone (PubChem CID 138686726) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone
PubChem CID138686726
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(=O)CN(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N8O2/c1-16(2)22-23(17-12-19(35-5)25-26-15-27-33(25)13-17)28-18-6-7-20(29-24(18)22)31-8-10-32(11-9-31)21(34)14-30(3)4/h6-7,12-13,15-16,28H,8-11,14H2,1-5H3
InChIKeyYUHMYQQUOMUYMN-UHFFFAOYSA-N
XLogP2.61
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone (CID 138686726) is 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone is COc1cc(-c2[nH]c3ccc(N4CCN(C(=O)CN(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is YUHMYQQUOMUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16(2)22-23(17-12-19(35-5)25-26-15-27-33(25)13-17)28-18-6-7-20(29-24(18)22)31-8-10-32(11-9-31)21(34)14-30(3)4/h6-7,12-13,15-16,28H,8-11,14H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 476.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 138686726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).