2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide

C22H25FN6O — CID 170380599

IUPAC2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide
SMILESC/N=C/c1c(C2CCNCC2)ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c1N
InChIInChI=1S/C22H25FN6O/c1-13-11-29-12-15(9-19(23)21(29)27-13)28-22(30)17-4-3-16(14-5-7-26-8-6-14)18(10-25-2)20(17)24/h3-4,9-12,14,26H,5-8,24H2,1-2H3,(H,28,30)/b25-10+
InChIKeySIQVSAFHHBEFHF-KIBLKLHPSA-N
MW408.48 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide

2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide (PubChem CID 170380599) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide
PubChem CID170380599
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide
SMILESC/N=C/c1c(C2CCNCC2)ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c1N
InChIInChI=1S/C22H25FN6O/c1-13-11-29-12-15(9-19(23)21(29)27-13)28-22(30)17-4-3-16(14-5-7-26-8-6-14)18(10-25-2)20(17)24/h3-4,9-12,14,26H,5-8,24H2,1-2H3,(H,28,30)/b25-10+
InChIKeySIQVSAFHHBEFHF-KIBLKLHPSA-N
XLogP3.13
TPSA96.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[8-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-3-(methyliminomethyl)-4-piperazin-1-ylbenzamide
CID 176741437
2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
CID 176741587
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)cinnoline-8-carboxamide
CID 167500546
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
tert-butyl 4-[3-amino-4-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methanimidoylphenyl]piperazine-1-carboxylate
CID 176741539
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[methyl(piperidin-4-yl)amino]pyrazine-2-carboxamide
CID 163683694
5-(2,6-dimethylpiperidin-4-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)cinnoline-8-carboxamide
CID 167500800
4-(2,6-dimethylpiperidin-4-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501667
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90468665
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 167501440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide?
The IUPAC name of 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide (CID 170380599) is 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide?
The canonical SMILES for 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide is C/N=C/c1c(C2CCNCC2)ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c1N.
What is the InChIKey of 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide?
The InChIKey is SIQVSAFHHBEFHF-KIBLKLHPSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-13-11-29-12-15(9-19(23)21(29)27-13)28-22(30)17-4-3-16(14-5-7-26-8-6-14)18(10-25-2)20(17)24/h3-4,9-12,14,26H,5-8,24H2,1-2H3,(H,28,30)/b25-10+.
What are the key properties of 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide?
2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 170380599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).