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

C23H23N7O3 — CID 53242176

IUPACN-[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
SMILESO=C(Nc1cnc2c(cnn2C2CCOCC2)c1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C23H23N7O3/c31-22(18-3-2-14-11-19-23(32)24-6-1-7-29(19)21(14)28-18)27-16-10-15-12-26-30(20(15)25-13-16)17-4-8-33-9-5-17/h2-3,10-13,17H,1,4-9H2,(H,24,32)(H,27,31)
InChIKeyZDLIZWHPESZXOR-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.52
Rot. Bonds3

About 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

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 53242176) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 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 NameN-[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 CID53242176
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC NameN-[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
SMILESO=C(Nc1cnc2c(cnn2C2CCOCC2)c1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C23H23N7O3/c31-22(18-3-2-14-11-19-23(32)24-6-1-7-29(19)21(14)28-18)27-16-10-15-12-26-30(20(15)25-13-16)17-4-8-33-9-5-17/h2-3,10-13,17H,1,4-9H2,(H,24,32)(H,27,31)
InChIKeyZDLIZWHPESZXOR-UHFFFAOYSA-N
XLogP2.52
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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 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 53242176) is 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 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 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 O=C(Nc1cnc2c(cnn2C2CCOCC2)c1)c1ccc2cc3n(c2n1)CCCNC3=O.
What is the InChIKey of 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 ZDLIZWHPESZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-22(18-3-2-14-11-19-23(32)24-6-1-7-29(19)21(14)28-18)27-16-10-15-12-26-30(20(15)25-13-16)17-4-8-33-9-5-17/h2-3,10-13,17H,1,4-9H2,(H,24,32)(H,27,31).
What are the key properties of 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?
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 445.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 53242176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).