N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C23H29FN4O4S — CID 160838023

IUPACN,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN(C)C=O.COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C20H22FN3O3S.C3H7NO/c1-27-19-4-3-14(21)11-16(19)15-5-8-22-20-17(15)12-18(23-20)13-6-9-24(10-7-13)28(2,25)26;1-4(2)3-5/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23);3H,1-2H3
InChIKeySHQVBSZRZZWFQA-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.22
Rot. Bonds5

About N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160838023) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound NameN,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID160838023
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC NameN,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN(C)C=O.COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C20H22FN3O3S.C3H7NO/c1-27-19-4-3-14(21)11-16(19)15-5-8-22-20-17(15)12-18(23-20)13-6-9-24(10-7-13)28(2,25)26;1-4(2)3-5/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23);3H,1-2H3
InChIKeySHQVBSZRZZWFQA-UHFFFAOYSA-N
XLogP3.22
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 160838023) is N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CN(C)C=O.COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(S(C)(=O)=O)CC3)cc12.
What is the InChIKey of N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SHQVBSZRZZWFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S.C3H7NO/c1-27-19-4-3-14(21)11-16(19)15-5-8-22-20-17(15)12-18(23-20)13-6-9-24(10-7-13)28(2,25)26;1-4(2)3-5/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 476.57 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160838023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).