8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C20H20ClN5O — CID 162646749

IUPAC8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1c[nH]c3ncccc13)CC2
InChIInChI=1S/C20H20ClN5O/c21-16-12-22-10-15(14-11-25-18-13(14)2-1-6-23-18)17(16)26-8-4-20(5-9-26)3-7-24-19(20)27/h1-2,6,10-12H,3-5,7-9H2,(H,23,25)(H,24,27)
InChIKeyDFXPOARIQXPDMN-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.38
Rot. Bonds2

About 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162646749) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162646749
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1c[nH]c3ncccc13)CC2
InChIInChI=1S/C20H20ClN5O/c21-16-12-22-10-15(14-11-25-18-13(14)2-1-6-23-18)17(16)26-8-4-20(5-9-26)3-7-24-19(20)27/h1-2,6,10-12H,3-5,7-9H2,(H,23,25)(H,24,27)
InChIKeyDFXPOARIQXPDMN-UHFFFAOYSA-N
XLogP3.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
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Spiro(3H-indole-3,4'-piperidine), 5-chloro-1,2-dihydro-1-(1H-pyrrolo(2,3-d)pyrimidin-4-yl)-
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Pyrrolopyrimidine, 13a
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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162646749) is 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1c[nH]c3ncccc13)CC2.
What is the InChIKey of 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DFXPOARIQXPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-12-22-10-15(14-11-25-18-13(14)2-1-6-23-18)17(16)26-8-4-20(5-9-26)3-7-24-19(20)27/h1-2,6,10-12H,3-5,7-9H2,(H,23,25)(H,24,27).
What are the key properties of 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 381.87 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162646749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).