N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide

C63H102FN7O3 — CID 177355557

About N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide

N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide (PubChem CID 177355557) has the molecular formula C63H102FN7O3 and a molecular weight of 1024.55 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide
• PubChem CID: 177355557
• Molecular Formula: C63H102FN7O3
• Molecular Weight: 1024.55 g/mol
• Exact Mass: 1023.80
• IUPAC Name: N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide
• SMILES: CC.CC.CC.CC(=O)c1ccc(C2CCN(C/C(C)=C/c3c(-c4ccc5c(c4)CNN5)ccnc3C)CC2)cc1.CC1=C(F)C=C(NC(CCC=O)C(N)=O)CC1.CCCC(CCC)CN(CCC)C(C)CC
• InChI: InChI=1S/C30H34N4O.C15H33N.C12H17FN2O2.3C2H6/c1-20(19-34-14-11-25(12-15-34)24-6-4-23(5-7-24)22(3)35)16-29-21(2)31-13-10-28(29)26-8-9-30-27(17-26)18-32-33-30;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-8-4-5-9(7-10(8)13)15-11(12(14)17)3-2-6-16;3*1-2/h4-10,13,16-17,25,32-33H,11-12,14-15,18-19H2,1-3H3;14-15H,6-13H2,1-5H3;6-7,11,15H,2-5H2,1H3,(H2,14,17);3*1-2H3/b20-16+
• InChIKey: OJAYKWZFWUOQSB-SLUUHYDUSA-N
• XLogP: 15.09
• TPSA: 132.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.55
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide?

The IUPAC name of N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide (CID 177355557) is N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide.

What is the SMILES notation for N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide?

The canonical SMILES for N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide is CC.CC.CC.CC(=O)c1ccc(C2CCN(C/C(C)=C/c3c(-c4ccc5c(c4)CNN5)ccnc3C)CC2)cc1.CC1=C(F)C=C(NC(CCC=O)C(N)=O)CC1.CCCC(CCC)CN(CCC)C(C)CC.

What is the InChIKey of N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide?

The InChIKey is OJAYKWZFWUOQSB-SLUUHYDUSA-N. The full InChI is InChI=1S/C30H34N4O.C15H33N.C12H17FN2O2.3C2H6/c1-20(19-34-14-11-25(12-15-34)24-6-4-23(5-7-24)22(3)35)16-29-21(2)31-13-10-28(29)26-8-9-30-27(17-26)18-32-33-30;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-8-4-5-9(7-10(8)13)15-11(12(14)17)3-2-6-16;3*1-2/h4-10,13,16-17,25,32-33H,11-12,14-15,18-19H2,1-3H3;14-15H,6-13H2,1-5H3;6-7,11,15H,2-5H2,1H3,(H2,14,17);3*1-2H3/b20-16+;;;;;.

What are the key properties of N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide?

N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide has a molecular weight of 1024.55 g/mol, XLogP of 15.09, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N,2-dipropylpentan-1-amine;1-[4-[1-[(E)-3-[4-(2,3-dihydro-1H-indazol-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]phenyl]ethanone;ethane;2-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]-5-oxopentanamide is sourced from PubChem (CID 177355557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).