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

C26H24FN5O2 — CID 58164318

IUPAC3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCC5)cc4C2)C3)n1
InChIInChI=1S/C26H24FN5O2/c27-20-10-15(21-6-7-29-26(28)32-21)11-23-19(20)12-22(31-23)17-9-16-8-14(4-5-24(16)34-13-17)25(33)30-18-2-1-3-18/h4-8,10-11,17-18H,1-3,9,12-13H2,(H,30,33)(H2,28,29,32)
InChIKeyIDAIKKOXWSZFHV-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.03
Rot. Bonds4

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

3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 58164318) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID58164318
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCC5)cc4C2)C3)n1
InChIInChI=1S/C26H24FN5O2/c27-20-10-15(21-6-7-29-26(28)32-21)11-23-19(20)12-22(31-23)17-9-16-8-14(4-5-24(16)34-13-17)25(33)30-18-2-1-3-18/h4-8,10-11,17-18H,1-3,9,12-13H2,(H,30,33)(H2,28,29,32)
InChIKeyIDAIKKOXWSZFHV-UHFFFAOYSA-N
XLogP4.03
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.03
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
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
N-[5-(ethylaminomethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314165
3-(2,3-Dihydro-benzofuran-5-yl)-2-pyrimidin-2-yl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10992580
N-(2-(1-methoxybutan-2-ylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 11293575
N-(3-isopropylphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 44440291
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclohexyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 46845957
(S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866401
(S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866402

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 58164318) is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-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-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide is Nc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCC5)cc4C2)C3)n1.
What is the InChIKey of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is IDAIKKOXWSZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-10-15(21-6-7-29-26(28)32-21)11-23-19(20)12-22(31-23)17-9-16-8-14(4-5-24(16)34-13-17)25(33)30-18-2-1-3-18/h4-8,10-11,17-18H,1-3,9,12-13H2,(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-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide?
3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.03, 4 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-cyclobutyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 58164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).