5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole

C21H26N4O2 — CID 146067008

IUPAC5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
SMILESCc1cnc(-c2nn(C)c3c2CN(Cc2ccc(OC(C)C)cc2)CC3)o1
InChIInChI=1S/C21H26N4O2/c1-14(2)26-17-7-5-16(6-8-17)12-25-10-9-19-18(13-25)20(23-24(19)4)21-22-11-15(3)27-21/h5-8,11,14H,9-10,12-13H2,1-4H3
InChIKeySYFWCQOZOZVIJA-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.73
Rot. Bonds5

About 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole

5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole (PubChem CID 146067008) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
PubChem CID146067008
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
SMILESCc1cnc(-c2nn(C)c3c2CN(Cc2ccc(OC(C)C)cc2)CC3)o1
InChIInChI=1S/C21H26N4O2/c1-14(2)26-17-7-5-16(6-8-17)12-25-10-9-19-18(13-25)20(23-24(19)4)21-22-11-15(3)27-21/h5-8,11,14H,9-10,12-13H2,1-4H3
InChIKeySYFWCQOZOZVIJA-UHFFFAOYSA-N
XLogP3.73
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole (CID 146067008) is 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole is Cc1cnc(-c2nn(C)c3c2CN(Cc2ccc(OC(C)C)cc2)CC3)o1.
What is the InChIKey of 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole?
The InChIKey is SYFWCQOZOZVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)26-17-7-5-16(6-8-17)12-25-10-9-19-18(13-25)20(23-24(19)4)21-22-11-15(3)27-21/h5-8,11,14H,9-10,12-13H2,1-4H3.
What are the key properties of 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole?
5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole has a molecular weight of 366.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 146067008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).