3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine

C68H102N20 — CID 159926538

About 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine

3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 159926538) has the molecular formula C68H102N20 and a molecular weight of 1199.70 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 159926538
• Molecular Formula: C68H102N20
• Molecular Weight: 1199.70 g/mol
• Exact Mass: 1198.86
• IUPAC Name: 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine
• SMILES: C1=CC2N=CCC2C=N1.C1=CC2N=CCC2N=C1.C1=NC2CC=NC2N=C1.C1=NC=NC2N=CCC12.C1=NN=CC2N=CCC12.C1=Nc2cnccc2C1.C1=Nc2cncnc2C1.C1=Nc2ncccc2C1.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/C7H8N2.C7H6N2.C7H8N2.C7H6N2.C6H5N3.3C6H7N3.8C2H6/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-8-6-3-7-4-9-5(1)6;1-2-8-6-5(1)3-7-4-9-6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;8*1-2/h2-7H,1H2;1,3-5H,2H2;1-2,4-7H,3H2;1-2,4-5H,3H2;2-4H,1H2;3*2-6H,1H2;8*1-2H3
• InChIKey: NZBSYRKMXVJXNI-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 249.32 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.70
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine (CID 159926538) is 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine is C1=CC2N=CCC2C=N1.C1=CC2N=CCC2N=C1.C1=NC2CC=NC2N=C1.C1=NC=NC2N=CCC12.C1=NN=CC2N=CCC12.C1=Nc2cnccc2C1.C1=Nc2cncnc2C1.C1=Nc2ncccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine?

The InChIKey is NZBSYRKMXVJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C7H6N2.C7H8N2.C7H6N2.C6H5N3.3C6H7N3.8C2H6/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-8-6-3-7-4-9-5(1)6;1-2-8-6-5(1)3-7-4-9-6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;8*1-2/h2-7H,1H2;1,3-5H,2H2;1-2,4-7H,3H2;1-2,4-5H,3H2;2-4H,1H2;3*2-6H,1H2;8*1-2H3.

What are the key properties of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine?

3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 1199.70 g/mol, XLogP of 14.85, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 159926538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).