2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide

C41H47FN8O — CID 145034945

IUPAC2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCC1=CC=C(c2cc(F)cc(NCCN(C)C)c2)C2=C(C1)NC(c1n[nH]c3cc(C)c(-c4cncc(NC(=O)CC5CCCCC5)c4)cc13)=CN2
InChIInChI=1S/C41H47FN8O/c1-25-10-11-33(28-17-30(42)20-31(18-28)44-12-13-50(3)4)40-37(14-25)47-38(24-45-40)41-35-21-34(26(2)15-36(35)48-49-41)29-19-32(23-43-22-29)46-39(51)16-27-8-6-5-7-9-27/h10-11,15,17-24,27,44-45,47H,5-9,12-14,16H2,1-4H3,(H,46,51)(H,48,49)
InChIKeyHVDRFURCJOVONR-UHFFFAOYSA-N
MW686.88 g/mol
LogP8.09
Rot. Bonds10

About 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 145034945) has the molecular formula C41H47FN8O and a molecular weight of 686.88 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID145034945
Molecular FormulaC41H47FN8O
Molecular Weight686.88 g/mol
Exact Mass686.39
IUPAC Name2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCC1=CC=C(c2cc(F)cc(NCCN(C)C)c2)C2=C(C1)NC(c1n[nH]c3cc(C)c(-c4cncc(NC(=O)CC5CCCCC5)c4)cc13)=CN2
InChIInChI=1S/C41H47FN8O/c1-25-10-11-33(28-17-30(42)20-31(18-28)44-12-13-50(3)4)40-37(14-25)47-38(24-45-40)41-35-21-34(26(2)15-36(35)48-49-41)29-19-32(23-43-22-29)46-39(51)16-27-8-6-5-7-9-27/h10-11,15,17-24,27,44-45,47H,5-9,12-14,16H2,1-4H3,(H,46,51)(H,48,49)
InChIKeyHVDRFURCJOVONR-UHFFFAOYSA-N
XLogP8.09
TPSA110.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.88
LogP ≤ 58.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 136947425
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 160979292
2-cyclohexyl-N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137111744
2-cyclohexyl-N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137312806
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 158023221
2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137103287
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137115272
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137280545
N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 145036282
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136942452
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137134219
N-[3-[2-[5-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145251129

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 145034945) is 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide is CC1=CC=C(c2cc(F)cc(NCCN(C)C)c2)C2=C(C1)NC(c1n[nH]c3cc(C)c(-c4cncc(NC(=O)CC5CCCCC5)c4)cc13)=CN2.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is HVDRFURCJOVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47FN8O/c1-25-10-11-33(28-17-30(42)20-31(18-28)44-12-13-50(3)4)40-37(14-25)47-38(24-45-40)41-35-21-34(26(2)15-36(35)48-49-41)29-19-32(23-43-22-29)46-39(51)16-27-8-6-5-7-9-27/h10-11,15,17-24,27,44-45,47H,5-9,12-14,16H2,1-4H3,(H,46,51)(H,48,49).
What are the key properties of 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 686.88 g/mol, XLogP of 8.09, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[9-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-6-methyl-4,5-dihydro-1H-cyclohepta[b]pyrazin-3-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 145034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).