8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C24H26ClFN4O2 — CID 170606143

IUPAC8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(=O)N3CCC4(CC3)CNC(=O)C4)nc21
InChIInChI=1S/C24H26ClFN4O2/c1-23(2)14-30(15-3-4-16(25)17(26)11-15)19-6-5-18(28-21(19)23)22(32)29-9-7-24(8-10-29)12-20(31)27-13-24/h3-6,11H,7-10,12-14H2,1-2H3,(H,27,31)
InChIKeyQHYHGWBCDIUNFW-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.05
Rot. Bonds2

About 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 170606143) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID170606143
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC Name8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(=O)N3CCC4(CC3)CNC(=O)C4)nc21
InChIInChI=1S/C24H26ClFN4O2/c1-23(2)14-30(15-3-4-16(25)17(26)11-15)19-6-5-18(28-21(19)23)22(32)29-9-7-24(8-10-29)12-20(31)27-13-24/h3-6,11H,7-10,12-14H2,1-2H3,(H,27,31)
InChIKeyQHYHGWBCDIUNFW-UHFFFAOYSA-N
XLogP4.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 170606143) is 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is CC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(=O)N3CCC4(CC3)CNC(=O)C4)nc21.
What is the InChIKey of 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QHYHGWBCDIUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c1-23(2)14-30(15-3-4-16(25)17(26)11-15)19-6-5-18(28-21(19)23)22(32)29-9-7-24(8-10-29)12-20(31)27-13-24/h3-6,11H,7-10,12-14H2,1-2H3,(H,27,31).
What are the key properties of 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 456.95 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 170606143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).