2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane

C18H22N6 — CID 165156687

IUPAC2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane
SMILESc1c[nH]c(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)n1
InChIInChI=1S/C18H22N6/c1-2-6-23-18(4-1)5-10-24(12-18)14-3-7-19-17-15(14)13(11-22-17)16-20-8-9-21-16/h3,7-9,11,23H,1-2,4-6,10,12H2,(H,19,22)(H,20,21)
InChIKeyBOJODXOBEKPFNV-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.68
Rot. Bonds2

About 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane

2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane (PubChem CID 165156687) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane
PubChem CID165156687
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane
SMILESc1c[nH]c(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)n1
InChIInChI=1S/C18H22N6/c1-2-6-23-18(4-1)5-10-24(12-18)14-3-7-19-17-15(14)13(11-22-17)16-20-8-9-21-16/h3,7-9,11,23H,1-2,4-6,10,12H2,(H,19,22)(H,20,21)
InChIKeyBOJODXOBEKPFNV-UHFFFAOYSA-N
XLogP2.68
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane (CID 165156687) is 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane is c1c[nH]c(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)n1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane?
The InChIKey is BOJODXOBEKPFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-6-23-18(4-1)5-10-24(12-18)14-3-7-19-17-15(14)13(11-22-17)16-20-8-9-21-16/h3,7-9,11,23H,1-2,4-6,10,12H2,(H,19,22)(H,20,21).
What are the key properties of 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane?
2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane has a molecular weight of 322.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 165156687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).