1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

C20H20N6O3 — CID 118365153

IUPAC1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(COc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)on1
InChIInChI=1S/C20H20N6O3/c1-12-8-15(29-26-12)11-28-19-16-10-21-18(9-17(16)24-25-19)23-20(27)22-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,24,25)(H2,21,22,23,27)/t13-/m1/s1
InChIKeyFGGKKHYFNCWOAK-CYBMUJFWSA-N
MW392.42 g/mol
LogP3.72
Rot. Bonds6

About 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118365153) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID118365153
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(COc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)on1
InChIInChI=1S/C20H20N6O3/c1-12-8-15(29-26-12)11-28-19-16-10-21-18(9-17(16)24-25-19)23-20(27)22-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,24,25)(H2,21,22,23,27)/t13-/m1/s1
InChIKeyFGGKKHYFNCWOAK-CYBMUJFWSA-N
XLogP3.72
TPSA117.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118365153) is 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is Cc1cc(COc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)on1.
What is the InChIKey of 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is FGGKKHYFNCWOAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12-8-15(29-26-12)11-28-19-16-10-21-18(9-17(16)24-25-19)23-20(27)22-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,24,25)(H2,21,22,23,27)/t13-/m1/s1.
What are the key properties of 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118365153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).