3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide

C26H27FN6O2 — CID 58164155

IUPAC3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CO2
InChIInChI=1S/C26H27FN6O2/c1-33(2)8-7-29-25(34)15-3-4-24-17(9-15)10-18(14-35-24)22-13-19-20(27)11-16(12-23(19)31-22)21-5-6-30-26(28)32-21/h3-6,9,11-12,18H,7-8,10,13-14H2,1-2H3,(H,29,34)(H2,28,30,32)
InChIKeyBGSLCHZGPMDBQV-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.04
Rot. Bonds6

About 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide

3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 58164155) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID58164155
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CO2
InChIInChI=1S/C26H27FN6O2/c1-33(2)8-7-29-25(34)15-3-4-24-17(9-15)10-18(14-35-24)22-13-19-20(27)11-16(12-23(19)31-22)21-5-6-30-26(28)32-21/h3-6,9,11-12,18H,7-8,10,13-14H2,1-2H3,(H,29,34)(H2,28,30,32)
InChIKeyBGSLCHZGPMDBQV-UHFFFAOYSA-N
XLogP3.04
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
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CID 11213310
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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 58164155) is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CO2.
What is the InChIKey of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is BGSLCHZGPMDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-33(2)8-7-29-25(34)15-3-4-24-17(9-15)10-18(14-35-24)22-13-19-20(27)11-16(12-23(19)31-22)21-5-6-30-26(28)32-21/h3-6,9,11-12,18H,7-8,10,13-14H2,1-2H3,(H,29,34)(H2,28,30,32).
What are the key properties of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide?
3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 58164155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).