5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

C24H25FN6O2 — CID 156781812

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCNCC4)c3)c(O)[nH]c2cn1
InChIInChI=1S/C24H25FN6O2/c1-14(29-15-11-28-31(13-15)16-6-8-26-9-7-16)22-17-10-19(27-12-20(17)30-24(22)32)23-18(25)4-3-5-21(23)33-2/h3-5,10-13,16,26,30,32H,6-9H2,1-2H3/b29-14+
InChIKeyZKJVKJHKHARQNM-IPPBACCNSA-N
MW448.50 g/mol
LogP4.34
Rot. Bonds5

About 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781812) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781812
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCNCC4)c3)c(O)[nH]c2cn1
InChIInChI=1S/C24H25FN6O2/c1-14(29-15-11-28-31(13-15)16-6-8-26-9-7-16)22-17-10-19(27-12-20(17)30-24(22)32)23-18(25)4-3-5-21(23)33-2/h3-5,10-13,16,26,30,32H,6-9H2,1-2H3/b29-14+
InChIKeyZKJVKJHKHARQNM-IPPBACCNSA-N
XLogP4.34
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol with MolForge

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Related Compounds

3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pentan-2-ol
CID 22398592
US10435405, Example 43
CID 134327883
US10034861, Example 85
CID 132273384
US10034861, Example 199
CID 132273487
US9725449, Example 282
CID 138403658
1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-methoxy-3-indolyl)methyl)-
CID 3045956
15-Methoxy-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 4713452
2-[(1-Ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 16187798

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781812) is 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is COc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCNCC4)c3)c(O)[nH]c2cn1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is ZKJVKJHKHARQNM-IPPBACCNSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14(29-15-11-28-31(13-15)16-6-8-26-9-7-16)22-17-10-19(27-12-20(17)30-24(22)32)23-18(25)4-3-5-21(23)33-2/h3-5,10-13,16,26,30,32H,6-9H2,1-2H3/b29-14+.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 448.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).