1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea

C19H24ClN7O2 — CID 52911905

IUPAC1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea
SMILESCCOc1cc(NC(=O)NNc2cc(C(C)C)c3c(n2)c(C)nn3C)cc(Cl)n1
InChIInChI=1S/C19H24ClN7O2/c1-6-29-16-8-12(7-14(20)22-16)21-19(28)25-24-15-9-13(10(2)3)18-17(23-15)11(4)26-27(18)5/h7-10H,6H2,1-5H3,(H,23,24)(H2,21,22,25,28)
InChIKeyAULCVLSAZYSTSD-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea

1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea (PubChem CID 52911905) has the molecular formula C19H24ClN7O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea.

Molecular Properties

Compound Name1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea
PubChem CID52911905
Molecular FormulaC19H24ClN7O2
Molecular Weight417.90 g/mol
Exact Mass417.17
IUPAC Name1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea
SMILESCCOc1cc(NC(=O)NNc2cc(C(C)C)c3c(n2)c(C)nn3C)cc(Cl)n1
InChIInChI=1S/C19H24ClN7O2/c1-6-29-16-8-12(7-14(20)22-16)21-19(28)25-24-15-9-13(10(2)3)18-17(23-15)11(4)26-27(18)5/h7-10H,6H2,1-5H3,(H,23,24)(H2,21,22,25,28)
InChIKeyAULCVLSAZYSTSD-UHFFFAOYSA-N
XLogP4.00
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]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-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea?
The IUPAC name of 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea (CID 52911905) is 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea.
What is the SMILES notation for 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea?
The canonical SMILES for 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea is CCOc1cc(NC(=O)NNc2cc(C(C)C)c3c(n2)c(C)nn3C)cc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea?
The InChIKey is AULCVLSAZYSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O2/c1-6-29-16-8-12(7-14(20)22-16)21-19(28)25-24-15-9-13(10(2)3)18-17(23-15)11(4)26-27(18)5/h7-10H,6H2,1-5H3,(H,23,24)(H2,21,22,25,28).
What are the key properties of 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea?
1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea has a molecular weight of 417.90 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethoxy-4-pyridinyl)-3-[(1,3-dimethyl-7-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl)amino]urea is sourced from PubChem (CID 52911905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).