[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C22H19N5O2 — CID 171620961

IUPAC[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCn1cc(C2CN(C(=O)c3cc(-c4ccncc4)on3)Cc3ccccc32)cn1
InChIInChI=1S/C22H19N5O2/c1-26-12-17(11-24-26)19-14-27(13-16-4-2-3-5-18(16)19)22(28)20-10-21(29-25-20)15-6-8-23-9-7-15/h2-12,19H,13-14H2,1H3
InChIKeyANPSTRBPFUBKRC-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.26
Rot. Bonds3

About [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 171620961) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
PubChem CID171620961
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCn1cc(C2CN(C(=O)c3cc(-c4ccncc4)on3)Cc3ccccc32)cn1
InChIInChI=1S/C22H19N5O2/c1-26-12-17(11-24-26)19-14-27(13-16-4-2-3-5-18(16)19)22(28)20-10-21(29-25-20)15-6-8-23-9-7-15/h2-12,19H,13-14H2,1H3
InChIKeyANPSTRBPFUBKRC-UHFFFAOYSA-N
XLogP3.26
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 171620961) is [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is Cn1cc(C2CN(C(=O)c3cc(-c4ccncc4)on3)Cc3ccccc32)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is ANPSTRBPFUBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-26-12-17(11-24-26)19-14-27(13-16-4-2-3-5-18(16)19)22(28)20-10-21(29-25-20)15-6-8-23-9-7-15/h2-12,19H,13-14H2,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 385.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 171620961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).