2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

C25H25FN6O2 — CID 90421002

IUPAC2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)Nc4cnn(C)c4)CC3)cc12
InChIInChI=1S/C25H25FN6O2/c1-31-14-18(13-28-31)29-24(33)15-32-9-6-16(7-10-32)22-12-21-19(5-8-27-25(21)30-22)20-11-17(26)3-4-23(20)34-2/h3-6,8,11-14H,7,9-10,15H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyZXGXHLWAXZONOP-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 90421002) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID90421002
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)Nc4cnn(C)c4)CC3)cc12
InChIInChI=1S/C25H25FN6O2/c1-31-14-18(13-28-31)29-24(33)15-32-9-6-16(7-10-32)22-12-21-19(5-8-27-25(21)30-22)20-11-17(26)3-4-23(20)34-2/h3-6,8,11-14H,7,9-10,15H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyZXGXHLWAXZONOP-UHFFFAOYSA-N
XLogP3.84
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 90421002) is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)Nc4cnn(C)c4)CC3)cc12.
What is the InChIKey of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZXGXHLWAXZONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-31-14-18(13-28-31)29-24(33)15-32-9-6-16(7-10-32)22-12-21-19(5-8-27-25(21)30-22)20-11-17(26)3-4-23(20)34-2/h3-6,8,11-14H,7,9-10,15H2,1-2H3,(H,27,30)(H,29,33).
What are the key properties of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 460.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 90421002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).