4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

C17H20N6 — CID 165156750

IUPAC4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1c[nH]c(-c2c[nH]c3nccc(N4CC[C@@]5(CCCN5)C4)c23)n1
InChIInChI=1S/C17H20N6/c1-3-17(22-5-1)4-9-23(11-17)13-2-6-18-16-14(13)12(10-21-16)15-19-7-8-20-15/h2,6-8,10,22H,1,3-5,9,11H2,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKeyKDBDEJFJWFXSGJ-KRWDZBQOSA-N
MW308.39 g/mol
LogP2.29
Rot. Bonds2

About 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 165156750) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID165156750
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1c[nH]c(-c2c[nH]c3nccc(N4CC[C@@]5(CCCN5)C4)c23)n1
InChIInChI=1S/C17H20N6/c1-3-17(22-5-1)4-9-23(11-17)13-2-6-18-16-14(13)12(10-21-16)15-19-7-8-20-15/h2,6-8,10,22H,1,3-5,9,11H2,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKeyKDBDEJFJWFXSGJ-KRWDZBQOSA-N
XLogP2.29
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 165156750) is 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is c1c[nH]c(-c2c[nH]c3nccc(N4CC[C@@]5(CCCN5)C4)c23)n1.
What is the InChIKey of 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KDBDEJFJWFXSGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N6/c1-3-17(22-5-1)4-9-23(11-17)13-2-6-18-16-14(13)12(10-21-16)15-19-7-8-20-15/h2,6-8,10,22H,1,3-5,9,11H2,(H,18,21)(H,19,20)/t17-/m0/s1.
What are the key properties of 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-1,7-diazaspiro[4.4]nonan-7-yl]-3-(1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165156750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).