2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C42H31FN6O — CID 23537345

IUPAC2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)c1
InChIInChI=1S/C42H31FN6O/c1-29-21-22-44-39(23-29)47-41(50)36-19-17-30(24-37(36)43)38-26-45-40-20-18-31(27-48(38)40)32-25-46-49(28-32)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,44,47,50)
InChIKeyNRICEPMUHLJHCL-UHFFFAOYSA-N
MW654.75 g/mol
LogP8.80
Rot. Bonds8

About 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537345) has the molecular formula C42H31FN6O and a molecular weight of 654.75 g/mol. Its IUPAC name is 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537345
Molecular FormulaC42H31FN6O
Molecular Weight654.75 g/mol
Exact Mass654.25
IUPAC Name2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)c1
InChIInChI=1S/C42H31FN6O/c1-29-21-22-44-39(23-29)47-41(50)36-19-17-30(24-37(36)43)38-26-45-40-20-18-31(27-48(38)40)32-25-46-49(28-32)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,44,47,50)
InChIKeyNRICEPMUHLJHCL-UHFFFAOYSA-N
XLogP8.80
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.75
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537345) is 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1ccnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)c1.
What is the InChIKey of 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is NRICEPMUHLJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31FN6O/c1-29-21-22-44-39(23-29)47-41(50)36-19-17-30(24-37(36)43)38-26-45-40-20-18-31(27-48(38)40)32-25-46-49(28-32)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,44,47,50).
What are the key properties of 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 654.75 g/mol, XLogP of 8.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).