1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

C14H13N5O2 — CID 2821591

IUPAC1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(Oc3cccnc3)c12
InChIInChI=1S/C14H13N5O2/c1-8-11-12(21-9-4-3-5-16-6-9)10(13(15)20)7-17-14(11)19(2)18-8/h3-7H,1-2H3,(H2,15,20)
InChIKeyYYZRBGZHCMBCRC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.56
Rot. Bonds3

About 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 2821591) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID2821591
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(Oc3cccnc3)c12
InChIInChI=1S/C14H13N5O2/c1-8-11-12(21-9-4-3-5-16-6-9)10(13(15)20)7-17-14(11)19(2)18-8/h3-7H,1-2H3,(H2,15,20)
InChIKeyYYZRBGZHCMBCRC-UHFFFAOYSA-N
XLogP1.56
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (CID 2821591) is 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(N)=O)c(Oc3cccnc3)c12.
What is the InChIKey of 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YYZRBGZHCMBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-11-12(21-9-4-3-5-16-6-9)10(13(15)20)7-17-14(11)19(2)18-8/h3-7H,1-2H3,(H2,15,20).
What are the key properties of 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-pyridin-3-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 2821591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).