2-hydroxy-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

C25H24N8O2 — CID 53390476

IUPAC2-hydroxy-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
SMILESO=C(CO)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1
InChIInChI=1S/C25H24N8O2/c34-16-24(35)32-9-7-31(8-10-32)19-1-2-23(29-14-19)30-22-12-18(15-33-6-5-27-25(22)33)17-11-21-20(28-13-17)3-4-26-21/h1-6,11-15,26,34H,7-10,16H2,(H,29,30)
InChIKeyXLWBHWLYRXBZRX-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.66
Rot. Bonds5

About 2-hydroxy-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

2-hydroxy-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 53390476) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-hydroxy-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 Name2-hydroxy-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 CID53390476
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name2-hydroxy-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
SMILESO=C(CO)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1
InChIInChI=1S/C25H24N8O2/c34-16-24(35)32-9-7-31(8-10-32)19-1-2-23(29-14-19)30-22-12-18(15-33-6-5-27-25(22)33)17-11-21-20(28-13-17)3-4-26-21/h1-6,11-15,26,34H,7-10,16H2,(H,29,30)
InChIKeyXLWBHWLYRXBZRX-UHFFFAOYSA-N
XLogP2.66
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-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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Related Compounds

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Ethanone, 1-(7,8-dihydro-2-((9-(trans-4-methylcyclohexyl)-9H-pyrido(4',3':4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-1,6-naphthyridin-6(5H)-yl)-2-hydroxy-
CID 60202647
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
Bms-066
CID 24825710
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
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CID 118720886
2-[4-[4-[2-(4-Morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile
CID 142379949
2-[4-[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol
CID 24887419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-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 2-hydroxy-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 53390476) is 2-hydroxy-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 2-hydroxy-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 2-hydroxy-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 O=C(CO)N1CCN(c2ccc(Nc3cc(-c4cnc5cc[nH]c5c4)cn4ccnc34)nc2)CC1.
What is the InChIKey of 2-hydroxy-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 XLWBHWLYRXBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c34-16-24(35)32-9-7-31(8-10-32)19-1-2-23(29-14-19)30-22-12-18(15-33-6-5-27-25(22)33)17-11-21-20(28-13-17)3-4-26-21/h1-6,11-15,26,34H,7-10,16H2,(H,29,30).
What are the key properties of 2-hydroxy-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?
2-hydroxy-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 468.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-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 53390476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).