7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine

C33H28N12 — CID 157306622

IUPAC7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/4C7H6N2.C5H4N4/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;1-4-5(8-2-6-1)9-3-7-4/h3*1-5,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9)
InChIKeyBCNYKDUYUCAPOC-UHFFFAOYSA-N
MW592.67 g/mol
LogP6.60
Rot. Bonds

About 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine

7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine (PubChem CID 157306622) has the molecular formula C33H28N12 and a molecular weight of 592.67 g/mol. Its IUPAC name is 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
PubChem CID157306622
Molecular FormulaC33H28N12
Molecular Weight592.67 g/mol
Exact Mass592.26
IUPAC Name7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/4C7H6N2.C5H4N4/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;1-4-5(8-2-6-1)9-3-7-4/h3*1-5,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9)
InChIKeyBCNYKDUYUCAPOC-UHFFFAOYSA-N
XLogP6.60
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 56.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine (CID 157306622) is 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine is c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The InChIKey is BCNYKDUYUCAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H6N2.C5H4N4/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;1-4-5(8-2-6-1)9-3-7-4/h3*1-5,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9).
What are the key properties of 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine has a molecular weight of 592.67 g/mol, XLogP of 6.60, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157306622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).