8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C26H27N5O2 — CID 167614384

IUPAC8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESN#CN1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1
InChIInChI=1S/C26H27N5O2/c27-17-30-15-12-18(13-16-30)22-7-4-14-31-24(25(28)32)23(29-26(22)31)19-8-10-21(11-9-19)33-20-5-2-1-3-6-20/h1-3,5-6,8-11,18,22H,4,7,12-16H2,(H2,28,32)
InChIKeyDXURCARVZOGTNO-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.51
Rot. Bonds5

About 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 167614384) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID167614384
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESN#CN1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1
InChIInChI=1S/C26H27N5O2/c27-17-30-15-12-18(13-16-30)22-7-4-14-31-24(25(28)32)23(29-26(22)31)19-8-10-21(11-9-19)33-20-5-2-1-3-6-20/h1-3,5-6,8-11,18,22H,4,7,12-16H2,(H2,28,32)
InChIKeyDXURCARVZOGTNO-UHFFFAOYSA-N
XLogP4.51
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167579451
2-(4-phenoxyphenyl)-8-(1-prop-2-enoylazetidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167595271
8-[1-(2-cyano-3-cyclopropylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 164884672
2-(4-phenoxyphenyl)-8-[1-[(E)-4,4,4-trifluoro-1-hydroxybut-2-enyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167270276
8-(1-but-2-ynylazetidin-3-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 175551169
2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167666885
(E)-but-2-enoyl chloride;8-[1-[(E)-but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167619044
2-[4-(4-methoxyphenoxy)phenyl]-8-[1-[(E)-4,4,4-trifluoro-1-hydroxybut-2-enyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167270237
3-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]pyrrolidine-1-carbonitrile
CID 118861491
2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164628847
5-carbamoyl-4-(4-phenoxyphenyl)-3,6,7,12-tetrazatricyclo[6.5.0.02,6]trideca-1(8),2,4-triene-12-carboxylic acid
CID 175408073
tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride
CID 167543502

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 167614384) is 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is N#CN1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1.
What is the InChIKey of 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DXURCARVZOGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-17-30-15-12-18(13-16-30)22-7-4-14-31-24(25(28)32)23(29-26(22)31)19-8-10-21(11-9-19)33-20-5-2-1-3-6-20/h1-3,5-6,8-11,18,22H,4,7,12-16H2,(H2,28,32).
What are the key properties of 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 167614384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).