2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide

C24H29FN4O3 — CID 90412172

IUPAC2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12
InChIInChI=1S/C24H29FN4O3/c1-28(11-12-30)23(31)15-29-9-6-16(7-10-29)21-14-20-18(5-8-26-24(20)27-21)19-13-17(25)3-4-22(19)32-2/h3-5,8,13-14,16,30H,6-7,9-12,15H2,1-2H3,(H,26,27)
InChIKeyUFFCHUJEEXCLCR-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide

2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 90412172) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID90412172
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12
InChIInChI=1S/C24H29FN4O3/c1-28(11-12-30)23(31)15-29-9-6-16(7-10-29)21-14-20-18(5-8-26-24(20)27-21)19-13-17(25)3-4-22(19)32-2/h3-5,8,13-14,16,30H,6-7,9-12,15H2,1-2H3,(H,26,27)
InChIKeyUFFCHUJEEXCLCR-UHFFFAOYSA-N
XLogP3.01
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide (CID 90412172) is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12.
What is the InChIKey of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is UFFCHUJEEXCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-28(11-12-30)23(31)15-29-9-6-16(7-10-29)21-14-20-18(5-8-26-24(20)27-21)19-13-17(25)3-4-22(19)32-2/h3-5,8,13-14,16,30H,6-7,9-12,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 440.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 90412172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).