N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C27H36FN3O — CID 89167362

IUPACN-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESC=C/C(=C\C=C/C)CCC(C)NC(=O)c1cn2c(n1)CCC(C(=C)/C=C\C(F)=C(C)C)C2
InChIInChI=1S/C27H36FN3O/c1-7-9-10-22(8-2)13-12-21(6)29-27(32)25-18-31-17-23(14-16-26(31)30-25)20(5)11-15-24(28)19(3)4/h7-11,15,18,21,23H,2,5,12-14,16-17H2,1,3-4,6H3,(H,29,32)/b9-7-,15-11-,22-10+
InChIKeyMIORGLJYUOGNQJ-CHUAREJASA-N
MW437.60 g/mol
LogP6.41
Rot. Bonds10

About N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 89167362) has the molecular formula C27H36FN3O and a molecular weight of 437.60 g/mol. Its IUPAC name is N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID89167362
Molecular FormulaC27H36FN3O
Molecular Weight437.60 g/mol
Exact Mass437.28
IUPAC NameN-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESC=C/C(=C\C=C/C)CCC(C)NC(=O)c1cn2c(n1)CCC(C(=C)/C=C\C(F)=C(C)C)C2
InChIInChI=1S/C27H36FN3O/c1-7-9-10-22(8-2)13-12-21(6)29-27(32)25-18-31-17-23(14-16-26(31)30-25)20(5)11-15-24(28)19(3)4/h7-11,15,18,21,23H,2,5,12-14,16-17H2,1,3-4,6H3,(H,29,32)/b9-7-,15-11-,22-10+
InChIKeyMIORGLJYUOGNQJ-CHUAREJASA-N
XLogP6.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.60
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 89167362) is N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is C=C/C(=C\C=C/C)CCC(C)NC(=O)c1cn2c(n1)CCC(C(=C)/C=C\C(F)=C(C)C)C2.
What is the InChIKey of N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MIORGLJYUOGNQJ-CHUAREJASA-N. The full InChI is InChI=1S/C27H36FN3O/c1-7-9-10-22(8-2)13-12-21(6)29-27(32)25-18-31-17-23(14-16-26(31)30-25)20(5)11-15-24(28)19(3)4/h7-11,15,18,21,23H,2,5,12-14,16-17H2,1,3-4,6H3,(H,29,32)/b9-7-,15-11-,22-10+.
What are the key properties of N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 437.60 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7Z)-5-ethenylnona-5,7-dien-2-yl]-6-[(3Z)-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 89167362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).