2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone

C37H42FN5O — CID 130199947

IUPAC2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone
SMILESCCc1cc(C)n(-c2cccc(-c3cccc4c3C(Nc3cc(F)c(C5CCN(C(=O)CC6CC6)CC5)cc3C)CC4)n2)n1
InChIInChI=1S/C37H42FN5O/c1-4-28-20-24(3)43(41-28)35-10-6-9-32(40-35)29-8-5-7-27-13-14-33(37(27)29)39-34-22-31(38)30(19-23(34)2)26-15-17-42(18-16-26)36(44)21-25-11-12-25/h5-10,19-20,22,25-26,33,39H,4,11-18,21H2,1-3H3
InChIKeyDPCFGSYJLDKGFP-UHFFFAOYSA-N
MW591.78 g/mol
LogP7.86
Rot. Bonds8

About 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone (PubChem CID 130199947) has the molecular formula C37H42FN5O and a molecular weight of 591.78 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone
PubChem CID130199947
Molecular FormulaC37H42FN5O
Molecular Weight591.78 g/mol
Exact Mass591.34
IUPAC Name2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone
SMILESCCc1cc(C)n(-c2cccc(-c3cccc4c3C(Nc3cc(F)c(C5CCN(C(=O)CC6CC6)CC5)cc3C)CC4)n2)n1
InChIInChI=1S/C37H42FN5O/c1-4-28-20-24(3)43(41-28)35-10-6-9-32(40-35)29-8-5-7-27-13-14-33(37(27)29)39-34-22-31(38)30(19-23(34)2)26-15-17-42(18-16-26)36(44)21-25-11-12-25/h5-10,19-20,22,25-26,33,39H,4,11-18,21H2,1-3H3
InChIKeyDPCFGSYJLDKGFP-UHFFFAOYSA-N
XLogP7.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.78
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone (CID 130199947) is 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone is CCc1cc(C)n(-c2cccc(-c3cccc4c3C(Nc3cc(F)c(C5CCN(C(=O)CC6CC6)CC5)cc3C)CC4)n2)n1.
What is the InChIKey of 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone?
The InChIKey is DPCFGSYJLDKGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42FN5O/c1-4-28-20-24(3)43(41-28)35-10-6-9-32(40-35)29-8-5-7-27-13-14-33(37(27)29)39-34-22-31(38)30(19-23(34)2)26-15-17-42(18-16-26)36(44)21-25-11-12-25/h5-10,19-20,22,25-26,33,39H,4,11-18,21H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone has a molecular weight of 591.78 g/mol, XLogP of 7.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 130199947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).