3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

C21H28N4 — CID 134492393

IUPAC3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
SMILESCC(C)N1CCc2cc(CC(C)N3Cc4cccnc4C3)cnc2C1
InChIInChI=1S/C21H28N4/c1-15(2)24-8-6-18-10-17(11-23-20(18)13-24)9-16(3)25-12-19-5-4-7-22-21(19)14-25/h4-5,7,10-11,15-16H,6,8-9,12-14H2,1-3H3
InChIKeyKWDZTJURYCGGRK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.19
Rot. Bonds4

About 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 134492393) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID134492393
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
SMILESCC(C)N1CCc2cc(CC(C)N3Cc4cccnc4C3)cnc2C1
InChIInChI=1S/C21H28N4/c1-15(2)24-8-6-18-10-17(11-23-20(18)13-24)9-16(3)25-12-19-5-4-7-22-21(19)14-25/h4-5,7,10-11,15-16H,6,8-9,12-14H2,1-3H3
InChIKeyKWDZTJURYCGGRK-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (CID 134492393) is 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is CC(C)N1CCc2cc(CC(C)N3Cc4cccnc4C3)cnc2C1.
What is the InChIKey of 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is KWDZTJURYCGGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-15(2)24-8-6-18-10-17(11-23-20(18)13-24)9-16(3)25-12-19-5-4-7-22-21(19)14-25/h4-5,7,10-11,15-16H,6,8-9,12-14H2,1-3H3.
What are the key properties of 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 336.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 134492393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).