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

C25H30FN5O2 — CID 90419847

IUPAC2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CCNC(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C25H30FN5O2/c1-30(2)16-24(32)27-10-13-31-11-7-17(8-12-31)22-15-21-19(6-9-28-25(21)29-22)20-14-18(26)4-5-23(20)33-3/h4-7,9,14-15H,8,10-13,16H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyATMLWAVSDGOTHG-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.14
Rot. Bonds8

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

2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide (PubChem CID 90419847) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide
PubChem CID90419847
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CCNC(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C25H30FN5O2/c1-30(2)16-24(32)27-10-13-31-11-7-17(8-12-31)22-15-21-19(6-9-28-25(21)29-22)20-14-18(26)4-5-23(20)33-3/h4-7,9,14-15H,8,10-13,16H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyATMLWAVSDGOTHG-UHFFFAOYSA-N
XLogP3.14
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide (CID 90419847) is 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CCNC(=O)CN(C)C)CC3)cc12.
What is the InChIKey of 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide?
The InChIKey is ATMLWAVSDGOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-30(2)16-24(32)27-10-13-31-11-7-17(8-12-31)22-15-21-19(6-9-28-25(21)29-22)20-14-18(26)4-5-23(20)33-3/h4-7,9,14-15H,8,10-13,16H2,1-3H3,(H,27,32)(H,28,29).
What are the key properties of 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide?
2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 90419847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).