2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide

C24H25FN8O2 — CID 59085689

IUPAC2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
SMILESCc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C24H25FN8O2/c1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15/h2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31)
InChIKeyKYIUUKDLHAZABR-UHFFFAOYSA-N
MW476.52 g/mol
LogP1.54
Rot. Bonds8

About 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide

2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide (PubChem CID 59085689) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
PubChem CID59085689
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
SMILESCc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C24H25FN8O2/c1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15/h2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31)
InChIKeyKYIUUKDLHAZABR-UHFFFAOYSA-N
XLogP1.54
TPSA128.76 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclopropylmethylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 59085736
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
CID 59085658
2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 67603385
2-[6-chloro-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
CID 59085755
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[4-[(3R,4S)-1-(2-hydroxy-2-methylpropyl)-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]acetamide
CID 54140949
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 59900530
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 15491487
N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 22179385
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide (CID 59085689) is 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide is Cc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.
What is the InChIKey of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide?
The InChIKey is KYIUUKDLHAZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15/h2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31).
What are the key properties of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide?
2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide has a molecular weight of 476.52 g/mol, XLogP of 1.54, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide is sourced from PubChem (CID 59085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).