1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea

C14H19N5O2 — CID 75447177

IUPAC1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
SMILESCc1[nH]nc2ncc(NC(=O)NC3(C)CCOCC3)cc12
InChIInChI=1S/C14H19N5O2/c1-9-11-7-10(8-15-12(11)19-18-9)16-13(20)17-14(2)3-5-21-6-4-14/h7-8H,3-6H2,1-2H3,(H,15,18,19)(H2,16,17,20)
InChIKeyQNXRWCPJKKLGHX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea

1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea (PubChem CID 75447177) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
PubChem CID75447177
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
SMILESCc1[nH]nc2ncc(NC(=O)NC3(C)CCOCC3)cc12
InChIInChI=1S/C14H19N5O2/c1-9-11-7-10(8-15-12(11)19-18-9)16-13(20)17-14(2)3-5-21-6-4-14/h7-8H,3-6H2,1-2H3,(H,15,18,19)(H2,16,17,20)
InChIKeyQNXRWCPJKKLGHX-UHFFFAOYSA-N
XLogP1.96
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea?
The IUPAC name of 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea (CID 75447177) is 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea?
The canonical SMILES for 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea is Cc1[nH]nc2ncc(NC(=O)NC3(C)CCOCC3)cc12.
What is the InChIKey of 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea?
The InChIKey is QNXRWCPJKKLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-11-7-10(8-15-12(11)19-18-9)16-13(20)17-14(2)3-5-21-6-4-14/h7-8H,3-6H2,1-2H3,(H,15,18,19)(H2,16,17,20).
What are the key properties of 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea?
1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea is sourced from PubChem (CID 75447177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).