ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide

C62H84F2N8O4 — CID 177354723

IUPACethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide
SMILESCC.CCCC(CCC)CN1CCN(Cc2cc3c(cc2F)N(C(CCC=O)C(=O)NC)C(=O)C32CC2)CC1.CNc1ccc(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(C)cc(C(C)=O)cc3F)CC2)cn1
InChIInChI=1S/C31H35FN4O.C29H43FN4O3.C2H6/c1-19(16-28-21(3)34-12-9-27(28)25-7-8-30(33-6)35-18-25)22(4)36-13-10-24(11-14-36)31-20(2)15-26(23(5)37)17-29(31)32;1-4-7-21(8-5-2)19-32-12-14-33(15-13-32)20-22-17-23-26(18-24(22)30)34(28(37)29(23)10-11-29)25(9-6-16-35)27(36)31-3;1-2/h7-10,12,15-18,22H,11,13-14H2,1-6H3,(H,33,35);16-18,21,25H,4-15,19-20H2,1-3H3,(H,31,36);1-2H3/b19-16+;;
InChIKeyDAKQJPDCKPRPFF-JWZFBPJHSA-N
MW1043.40 g/mol
LogP11.38
Rot. Bonds20

About ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide

ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide (PubChem CID 177354723) has the molecular formula C62H84F2N8O4 and a molecular weight of 1043.40 g/mol. Its IUPAC name is ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Nameethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide
PubChem CID177354723
Molecular FormulaC62H84F2N8O4
Molecular Weight1043.40 g/mol
Exact Mass1042.66
IUPAC Nameethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide
SMILESCC.CCCC(CCC)CN1CCN(Cc2cc3c(cc2F)N(C(CCC=O)C(=O)NC)C(=O)C32CC2)CC1.CNc1ccc(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(C)cc(C(C)=O)cc3F)CC2)cn1
InChIInChI=1S/C31H35FN4O.C29H43FN4O3.C2H6/c1-19(16-28-21(3)34-12-9-27(28)25-7-8-30(33-6)35-18-25)22(4)36-13-10-24(11-14-36)31-20(2)15-26(23(5)37)17-29(31)32;1-4-7-21(8-5-2)19-32-12-14-33(15-13-32)20-22-17-23-26(18-24(22)30)34(28(37)29(23)10-11-29)25(9-6-16-35)27(36)31-3;1-2/h7-10,12,15-18,22H,11,13-14H2,1-6H3,(H,33,35);16-18,21,25H,4-15,19-20H2,1-3H3,(H,31,36);1-2H3/b19-16+;;
InChIKeyDAKQJPDCKPRPFF-JWZFBPJHSA-N
XLogP11.38
TPSA131.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.40
LogP ≤ 511.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide (CID 177354723) is ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide is CC.CCCC(CCC)CN1CCN(Cc2cc3c(cc2F)N(C(CCC=O)C(=O)NC)C(=O)C32CC2)CC1.CNc1ccc(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(C)cc(C(C)=O)cc3F)CC2)cn1.
What is the InChIKey of ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide?
The InChIKey is DAKQJPDCKPRPFF-JWZFBPJHSA-N. The full InChI is InChI=1S/C31H35FN4O.C29H43FN4O3.C2H6/c1-19(16-28-21(3)34-12-9-27(28)25-7-8-30(33-6)35-18-25)22(4)36-13-10-24(11-14-36)31-20(2)15-26(23(5)37)17-29(31)32;1-4-7-21(8-5-2)19-32-12-14-33(15-13-32)20-22-17-23-26(18-24(22)30)34(28(37)29(23)10-11-29)25(9-6-16-35)27(36)31-3;1-2/h7-10,12,15-18,22H,11,13-14H2,1-6H3,(H,33,35);16-18,21,25H,4-15,19-20H2,1-3H3,(H,31,36);1-2H3/b19-16+;;.
What are the key properties of ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide?
ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide has a molecular weight of 1043.40 g/mol, XLogP of 11.38, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-fluoro-5-methyl-4-[1-[(E)-3-methyl-4-[2-methyl-4-[6-(methylamino)-3-pyridinyl]-3-pyridinyl]but-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethanone;2-[6'-fluoro-2'-oxo-5'-[[4-(2-propylpentyl)piperazin-1-yl]methyl]spiro[cyclopropane-1,3'-indole]-1'-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 177354723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).