N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

C27H22FN5OS — CID 44623355

IUPACN-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1
InChIInChI=1S/C27H22FN5OS/c1-16-23(33-14-4-5-19(28)24(33)30-16)22-15-35-26(32-22)27(12-13-27)18-10-8-17(9-11-18)25(34)31-21-7-3-2-6-20(21)29/h2-11,14-15H,12-13,29H2,1H3,(H,31,34)
InChIKeyFIPAONNUFOUNQZ-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.82
Rot. Bonds5

About N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (PubChem CID 44623355) has the molecular formula C27H22FN5OS and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
PubChem CID44623355
Molecular FormulaC27H22FN5OS
Molecular Weight483.57 g/mol
Exact Mass483.15
IUPAC NameN-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1
InChIInChI=1S/C27H22FN5OS/c1-16-23(33-14-4-5-19(28)24(33)30-16)22-15-35-26(32-22)27(12-13-27)18-10-8-17(9-11-18)25(34)31-21-7-3-2-6-20(21)29/h2-11,14-15H,12-13,29H2,1H3,(H,31,34)
InChIKeyFIPAONNUFOUNQZ-UHFFFAOYSA-N
XLogP5.82
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (CID 44623355) is N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is Cc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The InChIKey is FIPAONNUFOUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5OS/c1-16-23(33-14-4-5-19(28)24(33)30-16)22-15-35-26(32-22)27(12-13-27)18-10-8-17(9-11-18)25(34)31-21-7-3-2-6-20(21)29/h2-11,14-15H,12-13,29H2,1H3,(H,31,34).
What are the key properties of N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 44623355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).