14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C24H25N7O3 — CID 53242186

IUPAC14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C5CCOCC5)c4)nc3n21
InChIInChI=1S/C24H25N7O3/c1-14-4-7-25-24(33)20-11-15-2-3-19(29-22(15)30(14)20)23(32)28-17-10-16-12-27-31(21(16)26-13-17)18-5-8-34-9-6-18/h2-3,10-14,18H,4-9H2,1H3,(H,25,33)(H,28,32)
InChIKeyHHBAYTAFBOSZPX-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.08
Rot. Bonds3

About 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242186) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242186
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C5CCOCC5)c4)nc3n21
InChIInChI=1S/C24H25N7O3/c1-14-4-7-25-24(33)20-11-15-2-3-19(29-22(15)30(14)20)23(32)28-17-10-16-12-27-31(21(16)26-13-17)18-5-8-34-9-6-18/h2-3,10-14,18H,4-9H2,1H3,(H,25,33)(H,28,32)
InChIKeyHHBAYTAFBOSZPX-UHFFFAOYSA-N
XLogP3.08
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide with MolForge

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Related Compounds

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US10077269, Example 6
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(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604308

Frequently Asked Questions

What is the IUPAC name of 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242186) is 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C5CCOCC5)c4)nc3n21.
What is the InChIKey of 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is HHBAYTAFBOSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14-4-7-25-24(33)20-11-15-2-3-19(29-22(15)30(14)20)23(32)28-17-10-16-12-27-31(21(16)26-13-17)18-5-8-34-9-6-18/h2-3,10-14,18H,4-9H2,1H3,(H,25,33)(H,28,32).
What are the key properties of 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).