1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine

C41H58N8 — CID 158493618

IUPAC1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CCCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1CCc2ccncc21.CC(C)N1CCc2ncccc21
InChIInChI=1S/C11H16N2.3C10H14N2/c1-9(2)13-8-4-6-10-5-3-7-12-11(10)13;1-8(2)12-6-4-9-3-5-11-7-10(9)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3,5,7,9H,4,6,8H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-4,6,8H,5,7H2,1-2H3
InChIKeyHIZREMDEGFPFBY-UHFFFAOYSA-N
MW662.97 g/mol
LogP7.80
Rot. Bonds4

About 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine

1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine (PubChem CID 158493618) has the molecular formula C41H58N8 and a molecular weight of 662.97 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine
PubChem CID158493618
Molecular FormulaC41H58N8
Molecular Weight662.97 g/mol
Exact Mass662.48
IUPAC Name1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CCCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1CCc2ccncc21.CC(C)N1CCc2ncccc21
InChIInChI=1S/C11H16N2.3C10H14N2/c1-9(2)13-8-4-6-10-5-3-7-12-11(10)13;1-8(2)12-6-4-9-3-5-11-7-10(9)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3,5,7,9H,4,6,8H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-4,6,8H,5,7H2,1-2H3
InChIKeyHIZREMDEGFPFBY-UHFFFAOYSA-N
XLogP7.80
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.97
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine (CID 158493618) is 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine is CC(C)N1CCCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1CCc2ccncc21.CC(C)N1CCc2ncccc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is HIZREMDEGFPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.3C10H14N2/c1-9(2)13-8-4-6-10-5-3-7-12-11(10)13;1-8(2)12-6-4-9-3-5-11-7-10(9)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3,5,7,9H,4,6,8H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine?
1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 662.97 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 158493618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).