2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C22H33FN4O — CID 143896404

IUPAC2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESC/C=C(\C=C(/C)F)CCCNC1CCN(CC2Cn3c(cccc3=O)N2)CC1
InChIInChI=1S/C22H33FN4O/c1-3-18(14-17(2)23)6-5-11-24-19-9-12-26(13-10-19)15-20-16-27-21(25-20)7-4-8-22(27)28/h3-4,7-8,14,19-20,24-25H,5-6,9-13,15-16H2,1-2H3/b17-14+,18-3-
InChIKeyNRCHJFPABSBMKX-QLFNFMNOSA-N
MW388.53 g/mol
LogP3.30
Rot. Bonds8

About 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 143896404) has the molecular formula C22H33FN4O and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID143896404
Molecular FormulaC22H33FN4O
Molecular Weight388.53 g/mol
Exact Mass388.26
IUPAC Name2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESC/C=C(\C=C(/C)F)CCCNC1CCN(CC2Cn3c(cccc3=O)N2)CC1
InChIInChI=1S/C22H33FN4O/c1-3-18(14-17(2)23)6-5-11-24-19-9-12-26(13-10-19)15-20-16-27-21(25-20)7-4-8-22(27)28/h3-4,7-8,14,19-20,24-25H,5-6,9-13,15-16H2,1-2H3/b17-14+,18-3-
InChIKeyNRCHJFPABSBMKX-QLFNFMNOSA-N
XLogP3.30
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 143896404) is 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is C/C=C(\C=C(/C)F)CCCNC1CCN(CC2Cn3c(cccc3=O)N2)CC1.
What is the InChIKey of 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is NRCHJFPABSBMKX-QLFNFMNOSA-N. The full InChI is InChI=1S/C22H33FN4O/c1-3-18(14-17(2)23)6-5-11-24-19-9-12-26(13-10-19)15-20-16-27-21(25-20)7-4-8-22(27)28/h3-4,7-8,14,19-20,24-25H,5-6,9-13,15-16H2,1-2H3/b17-14+,18-3-.
What are the key properties of 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 388.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(E,4Z)-4-ethylidene-6-fluorohept-5-enyl]amino]piperidin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 143896404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).