N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide

C24H24F3N3O — CID 159885813

IUPACN-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide
SMILESCC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/C24H24F3N3O/c1-15-10-23(11-15)12-18(13-23)29-22(31)19-6-8-28-20-7-9-30(21(19)20)14-16-2-4-17(5-3-16)24(25,26)27/h2-9,15,18H,10-14H2,1H3,(H,29,31)
InChIKeyAOLFOFDUYYIIJQ-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.41
Rot. Bonds4

About N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide

N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide (PubChem CID 159885813) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide
PubChem CID159885813
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide
SMILESCC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/C24H24F3N3O/c1-15-10-23(11-15)12-18(13-23)29-22(31)19-6-8-28-20-7-9-30(21(19)20)14-16-2-4-17(5-3-16)24(25,26)27/h2-9,15,18H,10-14H2,1H3,(H,29,31)
InChIKeyAOLFOFDUYYIIJQ-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N5-hydroxy-N3-isopropyl-N5-methyl-pyrrolo[2,3-c]pyridine-3,5-dicarboxamide
CID 16112967
(2-Benzyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl)-piperazin-1-ylmethanone
CID 44158682
[2-[(2-Methylphenyl)methyl]-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158683
[2-[(3-Fluoro-2-methylphenyl)methyl]-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158791
[2-(3-Fluoro-2-methyl-benzyl)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 44159021
[1-Phenyl-2-(1-phenyl-ethyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56661689
[2-(3-Fluoro-2-methyl-benzyl)-6-methyl-1-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665122
1-[(2,4-dimethylphenyl)methyl]-N-(2-fluoroethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792836
1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-(2-fluoroethyl)-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467309
N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467310
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-pyridin-2-ylethyl)indole-3-carboxamide
CID 117807901
N-(adamantan-1-yl)-1-pentyl-1h-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 137346243

Frequently Asked Questions

What is the IUPAC name of N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide?
The IUPAC name of N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide (CID 159885813) is N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide?
The canonical SMILES for N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide is CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.
What is the InChIKey of N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide?
The InChIKey is AOLFOFDUYYIIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-15-10-23(11-15)12-18(13-23)29-22(31)19-6-8-28-20-7-9-30(21(19)20)14-16-2-4-17(5-3-16)24(25,26)27/h2-9,15,18H,10-14H2,1H3,(H,29,31).
What are the key properties of N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide?
N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide is sourced from PubChem (CID 159885813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).