[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone

C25H21FN4O2 — CID 58164091

IUPAC[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)C5CC5)cc4C2)C3)n1
InChIInChI=1S/C25H21FN4O2/c26-19-9-15(20-5-6-28-25(27)30-20)10-22-18(19)11-21(29-22)17-8-16-7-14(24(31)13-1-2-13)3-4-23(16)32-12-17/h3-7,9-10,13,17H,1-2,8,11-12H2,(H2,27,28,30)
InChIKeyGBKHNUVOKMWURM-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.34
Rot. Bonds4

About [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone

[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone (PubChem CID 58164091) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone
PubChem CID58164091
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone
SMILESNc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)C5CC5)cc4C2)C3)n1
InChIInChI=1S/C25H21FN4O2/c26-19-9-15(20-5-6-28-25(27)30-20)10-22-18(19)11-21(29-22)17-8-16-7-14(24(31)13-1-2-13)3-4-23(16)32-12-17/h3-7,9-10,13,17H,1-2,8,11-12H2,(H2,27,28,30)
InChIKeyGBKHNUVOKMWURM-UHFFFAOYSA-N
XLogP4.34
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,3-Dihydro-benzofuran-5-yl)-2-pyrimidin-2-yl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10992580
1-[4-Methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone
CID 2462898
2-[(3,5-dimethylphenyl)amino]-7-(4-methoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 3427774
N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzenecarboxamide
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CID 71565966
2-(Cyclopropylmethoxy)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 73294805
4-(4-Methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554867
4-{[4''-(2-Aminopyrimidin-5-yl)-3''-fluorobiphenyl-2-yl]oxy)benzamide
CID 90329811
4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide
CID 122431573
4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2(S)-yl]quinoline-2-carboxamide
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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]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone?
The IUPAC name of [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone (CID 58164091) is [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone is Nc1nccc(-c2cc(F)c3c(c2)N=C(C2COc4ccc(C(=O)C5CC5)cc4C2)C3)n1.
What is the InChIKey of [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone?
The InChIKey is GBKHNUVOKMWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-19-9-15(20-5-6-28-25(27)30-20)10-22-18(19)11-21(29-22)17-8-16-7-14(24(31)13-1-2-13)3-4-23(16)32-12-17/h3-7,9-10,13,17H,1-2,8,11-12H2,(H2,27,28,30).
What are the key properties of [3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone?
[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone has a molecular weight of 428.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 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]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone is sourced from PubChem (CID 58164091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).