1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

C19H18N6O3 — CID 118365281

IUPAC1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3cnco3)c12
InChIInChI=1S/C19H18N6O3/c1-11(12-6-4-3-5-7-12)21-19(26)23-15-8-13-16(18(27-2)25-24-13)17(22-15)14-9-20-10-28-14/h3-11H,1-2H3,(H,24,25)(H2,21,22,23,26)/t11-/m1/s1
InChIKeyVFVQOCUDDJPIBJ-LLVKDONJSA-N
MW378.39 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118365281) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID118365281
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3cnco3)c12
InChIInChI=1S/C19H18N6O3/c1-11(12-6-4-3-5-7-12)21-19(26)23-15-8-13-16(18(27-2)25-24-13)17(22-15)14-9-20-10-28-14/h3-11H,1-2H3,(H,24,25)(H2,21,22,23,26)/t11-/m1/s1
InChIKeyVFVQOCUDDJPIBJ-LLVKDONJSA-N
XLogP3.50
TPSA117.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118365281) is 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3cnco3)c12.
What is the InChIKey of 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is VFVQOCUDDJPIBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-11(12-6-4-3-5-7-12)21-19(26)23-15-8-13-16(18(27-2)25-24-13)17(22-15)14-9-20-10-28-14/h3-11H,1-2H3,(H,24,25)(H2,21,22,23,26)/t11-/m1/s1.
What are the key properties of 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 378.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118365281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).