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

C23H26F3N7O — CID 176741587

IUPAC2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c(/C=N/CC(C)(F)F)c3N)cc(F)c2n1
InChIInChI=1S/C23H26F3N7O/c1-14-11-33-12-15(9-18(24)21(33)30-14)31-22(34)16-3-4-19(32-7-5-28-6-8-32)17(20(16)27)10-29-13-23(2,25)26/h3-4,9-12,28H,5-8,13,27H2,1-2H3,(H,31,34)/b29-10+
InChIKeyCXYZWNPCSATOMD-VYVUJPJFSA-N
MW473.50 g/mol
LogP3.10
Rot. Bonds6

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

2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide (PubChem CID 176741587) has the molecular formula C23H26F3N7O and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
PubChem CID176741587
Molecular FormulaC23H26F3N7O
Molecular Weight473.50 g/mol
Exact Mass473.22
IUPAC Name2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c(/C=N/CC(C)(F)F)c3N)cc(F)c2n1
InChIInChI=1S/C23H26F3N7O/c1-14-11-33-12-15(9-18(24)21(33)30-14)31-22(34)16-3-4-19(32-7-5-28-6-8-32)17(20(16)27)10-29-13-23(2,25)26/h3-4,9-12,28H,5-8,13,27H2,1-2H3,(H,31,34)/b29-10+
InChIKeyCXYZWNPCSATOMD-VYVUJPJFSA-N
XLogP3.10
TPSA100.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
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
2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide
CID 170380599
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 167500340
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501784
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185
tert-butyl 4-[3-amino-4-[(8-chloro-2-methylimidazo[1,2-a]pyrazin-6-yl)carbamoyl]-2-(ethyliminomethyl)phenyl]piperazine-1-carboxylate
CID 176741514
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1,3-oxazol-5-ylmethyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501220

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide (CID 176741587) is 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c(/C=N/CC(C)(F)F)c3N)cc(F)c2n1.
What is the InChIKey of 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is CXYZWNPCSATOMD-VYVUJPJFSA-N. The full InChI is InChI=1S/C23H26F3N7O/c1-14-11-33-12-15(9-18(24)21(33)30-14)31-22(34)16-3-4-19(32-7-5-28-6-8-32)17(20(16)27)10-29-13-23(2,25)26/h3-4,9-12,28H,5-8,13,27H2,1-2H3,(H,31,34)/b29-10+.
What are the key properties of 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 473.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 176741587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).