4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol

C23H23F2N5O — CID 137028808

IUPAC4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCN(c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1)C(C)(C)C
InChIInChI=1S/C23H23F2N5O/c1-23(2,3)30(4)13-8-9-19(26-11-13)29-17-10-16(20-14(24)6-5-7-15(20)25)28-18-12-27-22(31)21(17)18/h5-12,27,31H,1-4H3,(H,26,29)
InChIKeyRYRBZNASCZBJTP-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.59
Rot. Bonds4

About 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol

4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137028808) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137028808
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCN(c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1)C(C)(C)C
InChIInChI=1S/C23H23F2N5O/c1-23(2,3)30(4)13-8-9-19(26-11-13)29-17-10-16(20-14(24)6-5-7-15(20)25)28-18-12-27-22(31)21(17)18/h5-12,27,31H,1-4H3,(H,26,29)
InChIKeyRYRBZNASCZBJTP-UHFFFAOYSA-N
XLogP5.59
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

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1-[2-(Diethylamino)ethylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
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3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
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4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
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3-[[1-Methyl-2-[(3-methylphenyl)methylamino]imidazo[4,5-c]pyridin-6-yl]amino]phenol
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US11839613, Example 307
CID 150232897
1H-indole-2,3-dione 3-{[5-(trifluoromethyl)-2-pyridinyl]hydrazone}
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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137028808) is 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is CN(c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1)C(C)(C)C.
What is the InChIKey of 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is RYRBZNASCZBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-23(2,3)30(4)13-8-9-19(26-11-13)29-17-10-16(20-14(24)6-5-7-15(20)25)28-18-12-27-22(31)21(17)18/h5-12,27,31H,1-4H3,(H,26,29).
What are the key properties of 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 423.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).