1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C20H20N6O4 — CID 118373967

IUPAC1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)O)nc(-c3cnco3)c12
InChIInChI=1S/C20H20N6O4/c1-11(27)17(12-6-4-3-5-7-12)24-20(28)23-15-8-13-16(19(29-2)26-25-13)18(22-15)14-9-21-10-30-14/h3-11,17,27H,1-2H3,(H,25,26)(H2,22,23,24,28)/t11?,17-/m1/s1
InChIKeyOSMZICWEKWXGBI-DFDFJRDNSA-N
MW408.42 g/mol
LogP2.87
Rot. Bonds6

About 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118373967) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118373967
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)O)nc(-c3cnco3)c12
InChIInChI=1S/C20H20N6O4/c1-11(27)17(12-6-4-3-5-7-12)24-20(28)23-15-8-13-16(19(29-2)26-25-13)18(22-15)14-9-21-10-30-14/h3-11,17,27H,1-2H3,(H,25,26)(H2,22,23,24,28)/t11?,17-/m1/s1
InChIKeyOSMZICWEKWXGBI-DFDFJRDNSA-N
XLogP2.87
TPSA138.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-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-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118373967) is 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)O)nc(-c3cnco3)c12.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is OSMZICWEKWXGBI-DFDFJRDNSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-11(27)17(12-6-4-3-5-7-12)24-20(28)23-15-8-13-16(19(29-2)26-25-13)18(22-15)14-9-21-10-30-14/h3-11,17,27H,1-2H3,(H,25,26)(H2,22,23,24,28)/t11?,17-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 408.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylpropyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118373967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).