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

C26H26FN5O2 — CID 58164332

IUPAC3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CO2
InChIInChI=1S/C26H26FN5O2/c1-14(2)12-30-25(33)15-3-4-24-17(7-15)8-18(13-34-24)22-11-19-20(27)9-16(10-23(19)31-22)21-5-6-29-26(28)32-21/h3-7,9-10,14,18H,8,11-13H2,1-2H3,(H,30,33)(H2,28,29,32)
InChIKeyONMALHPGUYTZSK-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.13
Rot. Bonds5

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

3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 58164332) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID58164332
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(F)c3C1)CO2
InChIInChI=1S/C26H26FN5O2/c1-14(2)12-30-25(33)15-3-4-24-17(7-15)8-18(13-34-24)22-11-19-20(27)9-16(10-23(19)31-22)21-5-6-29-26(28)32-21/h3-7,9-10,14,18H,8,11-13H2,1-2H3,(H,30,33)(H2,28,29,32)
InChIKeyONMALHPGUYTZSK-UHFFFAOYSA-N
XLogP4.13
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11213310
(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11271115
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 44563190
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
CID 46898100
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-[5-(ethylaminomethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314165
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76321453

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-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-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide (CID 58164332) is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide is CC(C)CNC(=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-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is ONMALHPGUYTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-14(2)12-30-25(33)15-3-4-24-17(7-15)8-18(13-34-24)22-11-19-20(27)9-16(10-23(19)31-22)21-5-6-29-26(28)32-21/h3-7,9-10,14,18H,8,11-13H2,1-2H3,(H,30,33)(H2,28,29,32).
What are the key properties of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide?
3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 58164332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).