1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea

C19H20Cl2N6O2 — CID 71738918

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea
SMILESC=CCn1nc(C)c2c(C(C)C)cc(ONC(=O)Nc3cc(Cl)nc(Cl)c3)nc21
InChIInChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)
InChIKeyGSDSPSURUKLGBL-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.87
Rot. Bonds6

About 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea

1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea (PubChem CID 71738918) has the molecular formula C19H20Cl2N6O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea
PubChem CID71738918
Molecular FormulaC19H20Cl2N6O2
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea
SMILESC=CCn1nc(C)c2c(C(C)C)cc(ONC(=O)Nc3cc(Cl)nc(Cl)c3)nc21
InChIInChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)
InChIKeyGSDSPSURUKLGBL-UHFFFAOYSA-N
XLogP4.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea (CID 71738918) is 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea is C=CCn1nc(C)c2c(C(C)C)cc(ONC(=O)Nc3cc(Cl)nc(Cl)c3)nc21.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea?
The InChIKey is GSDSPSURUKLGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea?
1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea has a molecular weight of 435.32 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[5,4-b]pyridin-6-yl)oxyurea is sourced from PubChem (CID 71738918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).