2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

C26H24FN7O — CID 90099670

IUPAC2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccnc4[nH]c(Cc5ccccc5F)cc34)nc(N3CCNCC3)c12
InChIInChI=1S/C26H24FN7O/c1-35-22-15-29-14-21-23(22)26(34-10-8-28-9-11-34)33-25(32-21)18-6-7-30-24-19(18)13-17(31-24)12-16-4-2-3-5-20(16)27/h2-7,13-15,28H,8-12H2,1H3,(H,30,31)
InChIKeyDLSPJAXOWLYRFB-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 90099670) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID90099670
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccnc4[nH]c(Cc5ccccc5F)cc34)nc(N3CCNCC3)c12
InChIInChI=1S/C26H24FN7O/c1-35-22-15-29-14-21-23(22)26(34-10-8-28-9-11-34)33-25(32-21)18-6-7-30-24-19(18)13-17(31-24)12-16-4-2-3-5-20(16)27/h2-7,13-15,28H,8-12H2,1H3,(H,30,31)
InChIKeyDLSPJAXOWLYRFB-UHFFFAOYSA-N
XLogP3.72
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

Gdc-0425
CID 58266779
Rwj-68354
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CID 25064730
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581765
N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)phenyl)-2-(pyridin-3-yloxy)-9H-purin-6-amine
CID 44561869
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
(3R)-1-[5-chloro-6-ethyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71561640
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71718200
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (CID 90099670) is 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is COc1cncc2nc(-c3ccnc4[nH]c(Cc5ccccc5F)cc34)nc(N3CCNCC3)c12.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is DLSPJAXOWLYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-35-22-15-29-14-21-23(22)26(34-10-8-28-9-11-34)33-25(32-21)18-6-7-30-24-19(18)13-17(31-24)12-16-4-2-3-5-20(16)27/h2-7,13-15,28H,8-12H2,1H3,(H,30,31).
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 469.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90099670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).