1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea

C20H26N6O3 — CID 25168669

IUPAC1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCCCc1cc(NNC(=O)Nc2c(OC)cccc2OC)nc2c1c(C)nn2C
InChIInChI=1S/C20H26N6O3/c1-6-8-13-11-16(21-19-17(13)12(2)25-26(19)3)23-24-20(27)22-18-14(28-4)9-7-10-15(18)29-5/h7,9-11H,6,8H2,1-5H3,(H,21,23)(H2,22,24,27)
InChIKeyRFHFOEULCPPXOV-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.40
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea

1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (PubChem CID 25168669) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
PubChem CID25168669
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCCCc1cc(NNC(=O)Nc2c(OC)cccc2OC)nc2c1c(C)nn2C
InChIInChI=1S/C20H26N6O3/c1-6-8-13-11-16(21-19-17(13)12(2)25-26(19)3)23-24-20(27)22-18-14(28-4)9-7-10-15(18)29-5/h7,9-11H,6,8H2,1-5H3,(H,21,23)(H2,22,24,27)
InChIKeyRFHFOEULCPPXOV-UHFFFAOYSA-N
XLogP3.40
TPSA102.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (CID 25168669) is 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is CCCc1cc(NNC(=O)Nc2c(OC)cccc2OC)nc2c1c(C)nn2C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The InChIKey is RFHFOEULCPPXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-6-8-13-11-16(21-19-17(13)12(2)25-26(19)3)23-24-20(27)22-18-14(28-4)9-7-10-15(18)29-5/h7,9-11H,6,8H2,1-5H3,(H,21,23)(H2,22,24,27).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea has a molecular weight of 398.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-[(1,3-dimethyl-4-propylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is sourced from PubChem (CID 25168669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).