1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one

C26H29N7O2 — CID 159085224

IUPAC1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-c3cc4cc(CC(=O)c5n[nH]c(C)c5C)cnc4[nH]3)ccn2)CC1
InChIInChI=1S/C26H29N7O2/c1-4-24(35)33-9-7-32(8-10-33)23-14-19(5-6-27-23)21-13-20-11-18(15-28-26(20)29-21)12-22(34)25-16(2)17(3)30-31-25/h5-6,11,13-15H,4,7-10,12H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyNPOGBWDFVYFNOB-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one

1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 159085224) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID159085224
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-c3cc4cc(CC(=O)c5n[nH]c(C)c5C)cnc4[nH]3)ccn2)CC1
InChIInChI=1S/C26H29N7O2/c1-4-24(35)33-9-7-32(8-10-33)23-14-19(5-6-27-23)21-13-20-11-18(15-28-26(20)29-21)12-22(34)25-16(2)17(3)30-31-25/h5-6,11,13-15H,4,7-10,12H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyNPOGBWDFVYFNOB-UHFFFAOYSA-N
XLogP3.45
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-ethynyl-3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 159971708
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157407689
tert-butyl 4-[3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]piperazine-1-carboxylate
CID 159234034
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
CID 134293178
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
CID 147588258
4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302757
2-(4-ethoxyphenyl)-1-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75528117
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157209077
1-[4-[5-(3,4-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 91887697

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one (CID 159085224) is 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(-c3cc4cc(CC(=O)c5n[nH]c(C)c5C)cnc4[nH]3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is NPOGBWDFVYFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-4-24(35)33-9-7-32(8-10-33)23-14-19(5-6-27-23)21-13-20-11-18(15-28-26(20)29-21)12-22(34)25-16(2)17(3)30-31-25/h5-6,11,13-15H,4,7-10,12H2,1-3H3,(H,28,29)(H,30,31).
What are the key properties of 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one?
1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 471.57 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 159085224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).