4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

C18H22N6 — CID 165156747

IUPAC4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)[nH]1
InChIInChI=1S/C18H22N6/c1-12-9-20-16(23-12)13-10-21-17-15(13)14(3-6-19-17)24-8-2-4-18(11-24)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyUPKADJQJLDJDEG-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.59
Rot. Bonds2

About 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 165156747) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID165156747
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)[nH]1
InChIInChI=1S/C18H22N6/c1-12-9-20-16(23-12)13-10-21-17-15(13)14(3-6-19-17)24-8-2-4-18(11-24)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyUPKADJQJLDJDEG-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 165156747) is 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)[nH]1.
What is the InChIKey of 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UPKADJQJLDJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-9-20-16(23-12)13-10-21-17-15(13)14(3-6-19-17)24-8-2-4-18(11-24)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 322.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165156747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).