1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

C25H24N8O — CID 53390387

IUPAC1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1
InChIInChI=1S/C25H24N8O/c1-17(34)31-8-10-32(11-9-31)20-2-3-24(29-15-20)30-23-13-19(16-33-7-6-27-25(23)33)18-12-22-21(28-14-18)4-5-26-22/h2-7,12-16,26H,8-11H2,1H3,(H,29,30)
InChIKeyAAHVXELFAIWJBK-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 53390387) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID53390387
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1
InChIInChI=1S/C25H24N8O/c1-17(34)31-8-10-32(11-9-31)20-2-3-24(29-15-20)30-23-13-19(16-33-7-6-27-25(23)33)18-12-22-21(28-14-18)4-5-26-22/h2-7,12-16,26H,8-11H2,1H3,(H,29,30)
InChIKeyAAHVXELFAIWJBK-UHFFFAOYSA-N
XLogP3.68
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 53390387) is 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1.
What is the InChIKey of 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is AAHVXELFAIWJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-17(34)31-8-10-32(11-9-31)20-2-3-24(29-15-20)30-23-13-19(16-33-7-6-27-25(23)33)18-12-22-21(28-14-18)4-5-26-22/h2-7,12-16,26H,8-11H2,1H3,(H,29,30).
What are the key properties of 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 452.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53390387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).