N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide

C30H29F4N5O2 — CID 70855212

About N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide

N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 70855212) has the molecular formula C30H29F4N5O2 and a molecular weight of 567.59 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
• PubChem CID: 70855212
• Molecular Formula: C30H29F4N5O2
• Molecular Weight: 567.59 g/mol
• Exact Mass: 567.23
• IUPAC Name: N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
• SMILES: CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5C[C@@H]5F)c(C)c4)cn23)cc1C
• InChI: InChI=1S/C30H29F4N5O2/c1-16-10-18(4-6-22(16)29(41)38-24-13-23(24)31)20-12-25(36-9-8-30(32,33)34)27-37-14-26(39(27)15-20)19-5-7-21(17(2)11-19)28(40)35-3/h4-7,10-12,14-15,23-24,36H,8-9,13H2,1-3H3,(H,35,40)(H,38,41)/t23-,24?/m0/s1
• InChIKey: JTDPIRDCSTYUTP-UXMRNZNESA-N
• XLogP: 5.85
• TPSA: 87.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.59
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?

The IUPAC name of N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 70855212) is N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide.

What is the SMILES notation for N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?

The canonical SMILES for N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5C[C@@H]5F)c(C)c4)cn23)cc1C.

What is the InChIKey of N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?

The InChIKey is JTDPIRDCSTYUTP-UXMRNZNESA-N. The full InChI is InChI=1S/C30H29F4N5O2/c1-16-10-18(4-6-22(16)29(41)38-24-13-23(24)31)20-12-25(36-9-8-30(32,33)34)27-37-14-26(39(27)15-20)19-5-7-21(17(2)11-19)28(40)35-3/h4-7,10-12,14-15,23-24,36H,8-9,13H2,1-3H3,(H,35,40)(H,38,41)/t23-,24?/m0/s1.

What are the key properties of N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?

N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 567.59 g/mol, XLogP of 5.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 70855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).