4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C26H27FN6O4S — CID 90421708

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(CCS(C)(=O)=O)c4)CC3)cc12
InChIInChI=1S/C26H27FN6O4S/c1-37-24-4-3-18(27)13-21(24)20-5-8-28-25-22(20)14-23(31-25)17-6-9-32(10-7-17)26(34)30-19-15-29-33(16-19)11-12-38(2,35)36/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyKBOZLNYFJSCSBN-UHFFFAOYSA-N
MW538.61 g/mol
LogP3.94
Rot. Bonds7

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90421708) has the molecular formula C26H27FN6O4S and a molecular weight of 538.61 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90421708
Molecular FormulaC26H27FN6O4S
Molecular Weight538.61 g/mol
Exact Mass538.18
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(CCS(C)(=O)=O)c4)CC3)cc12
InChIInChI=1S/C26H27FN6O4S/c1-37-24-4-3-18(27)13-21(24)20-5-8-28-25-22(20)14-23(31-25)17-6-9-32(10-7-17)26(34)30-19-15-29-33(16-19)11-12-38(2,35)36/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyKBOZLNYFJSCSBN-UHFFFAOYSA-N
XLogP3.94
TPSA122.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90421708) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(CCS(C)(=O)=O)c4)CC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KBOZLNYFJSCSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O4S/c1-37-24-4-3-18(27)13-21(24)20-5-8-28-25-22(20)14-23(31-25)17-6-9-32(10-7-17)26(34)30-19-15-29-33(16-19)11-12-38(2,35)36/h3-6,8,13-16H,7,9-12H2,1-2H3,(H,28,31)(H,30,34).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90421708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).