(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H20N4O2 — CID 155541052

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CC=C(c3cc4ncccc4[nH]3)CC2)on1
InChIInChI=1S/C19H20N4O2/c1-12(2)15-11-18(25-22-15)19(24)23-8-5-13(6-9-23)16-10-17-14(21-16)4-3-7-20-17/h3-5,7,10-12,21H,6,8-9H2,1-2H3
InChIKeyAYRMCKGXAVTZID-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.60
Rot. Bonds3

About (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 155541052) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID155541052
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CC=C(c3cc4ncccc4[nH]3)CC2)on1
InChIInChI=1S/C19H20N4O2/c1-12(2)15-11-18(25-22-15)19(24)23-8-5-13(6-9-23)16-10-17-14(21-16)4-3-7-20-17/h3-5,7,10-12,21H,6,8-9H2,1-2H3
InChIKeyAYRMCKGXAVTZID-UHFFFAOYSA-N
XLogP3.60
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 155541052) is (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CC(C)c1cc(C(=O)N2CC=C(c3cc4ncccc4[nH]3)CC2)on1.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is AYRMCKGXAVTZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)15-11-18(25-22-15)19(24)23-8-5-13(6-9-23)16-10-17-14(21-16)4-3-7-20-17/h3-5,7,10-12,21H,6,8-9H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 155541052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).