[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone

C17H19N5O2 — CID 131685074

IUPAC[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1ccc(C)n1Cc1noc2c1CN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C17H19N5O2/c1-11-3-4-12(2)22(11)10-15-13-9-21(8-6-16(13)24-20-15)17(23)14-5-7-18-19-14/h3-5,7H,6,8-10H2,1-2H3,(H,18,19)
InChIKeyZTUDJHMJJLELPJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.06
Rot. Bonds3

About [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone

[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 131685074) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID131685074
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1ccc(C)n1Cc1noc2c1CN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C17H19N5O2/c1-11-3-4-12(2)22(11)10-15-13-9-21(8-6-16(13)24-20-15)17(23)14-5-7-18-19-14/h3-5,7H,6,8-10H2,1-2H3,(H,18,19)
InChIKeyZTUDJHMJJLELPJ-UHFFFAOYSA-N
XLogP2.06
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone (CID 131685074) is [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone is Cc1ccc(C)n1Cc1noc2c1CN(C(=O)c1ccn[nH]1)CC2.
What is the InChIKey of [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is ZTUDJHMJJLELPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-3-4-12(2)22(11)10-15-13-9-21(8-6-16(13)24-20-15)17(23)14-5-7-18-19-14/h3-5,7H,6,8-10H2,1-2H3,(H,18,19).
What are the key properties of [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 131685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).