N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C26H36FN5O2 — CID 140652040

IUPACN-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CC3CC(F)CCC3N2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C26H36FN5O2/c27-21-5-6-22-20(15-21)16-23(30-22)26(34)31-12-8-18(9-13-31)3-1-2-10-29-25(33)19-4-7-24-28-11-14-32(24)17-19/h4,7,11,14,17-18,20-23,30H,1-3,5-6,8-10,12-13,15-16H2,(H,29,33)
InChIKeyNMCADBHATWZYIW-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.34
Rot. Bonds7

About N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 140652040) has the molecular formula C26H36FN5O2 and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID140652040
Molecular FormulaC26H36FN5O2
Molecular Weight469.61 g/mol
Exact Mass469.29
IUPAC NameN-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CC3CC(F)CCC3N2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C26H36FN5O2/c27-21-5-6-22-20(15-21)16-23(30-22)26(34)31-12-8-18(9-13-31)3-1-2-10-29-25(33)19-4-7-24-28-11-14-32(24)17-19/h4,7,11,14,17-18,20-23,30H,1-3,5-6,8-10,12-13,15-16H2,(H,29,33)
InChIKeyNMCADBHATWZYIW-UHFFFAOYSA-N
XLogP3.34
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 140652040) is N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CC3CC(F)CCC3N2)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NMCADBHATWZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN5O2/c27-21-5-6-22-20(15-21)16-23(30-22)26(34)31-12-8-18(9-13-31)3-1-2-10-29-25(33)19-4-7-24-28-11-14-32(24)17-19/h4,7,11,14,17-18,20-23,30H,1-3,5-6,8-10,12-13,15-16H2,(H,29,33).
What are the key properties of N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 140652040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).