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

C27H26FN5O2 — CID 58164192

IUPAC3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCCC5)cc4C2)C3)n1
InChIInChI=1S/C27H26FN5O2/c28-21-11-16(22-7-8-30-27(29)33-22)12-24-20(21)13-23(32-24)18-10-17-9-15(5-6-25(17)35-14-18)26(34)31-19-3-1-2-4-19/h5-9,11-12,18-19H,1-4,10,13-14H2,(H,31,34)(H2,29,30,33)
InChIKeyQHQDTSQMKBFJIR-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.42
Rot. Bonds4

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

3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 58164192) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID58164192
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCCC5)cc4C2)C3)n1
InChIInChI=1S/C27H26FN5O2/c28-21-11-16(22-7-8-30-27(29)33-22)12-24-20(21)13-23(32-24)18-10-17-9-15(5-6-25(17)35-14-18)26(34)31-19-3-1-2-4-19/h5-9,11-12,18-19H,1-4,10,13-14H2,(H,31,34)(H2,29,30,33)
InChIKeyQHQDTSQMKBFJIR-UHFFFAOYSA-N
XLogP4.42
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5-pyridin-4-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11190376
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11487980
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 58164192) is 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-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-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide is Nc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)NC5CCCC5)cc4C2)C3)n1.
What is the InChIKey of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is QHQDTSQMKBFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-21-11-16(22-7-8-30-27(29)33-22)12-24-20(21)13-23(32-24)18-10-17-9-15(5-6-25(17)35-14-18)26(34)31-19-3-1-2-4-19/h5-9,11-12,18-19H,1-4,10,13-14H2,(H,31,34)(H2,29,30,33).
What are the key properties of 3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide?
3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-N-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.42, 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-cyclopentyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 58164192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).