1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C₃₃H₃₈F₃N₇O₃ — CID 156907638

About 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907638) has the molecular formula C₃₃H₃₈F₃N₇O₃ and a molecular weight of 637.71 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 156907638
• Molecular Formula: C₃₃H₃₈F₃N₇O₃
• Molecular Weight: 637.71 g/mol
• Exact Mass: 637.30
• IUPAC Name: 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccnc4c3CCN4)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
• InChI: InChI=1S/C33H38F3N7O3/c1-19-15-28(46-4)26(32(45)40-19)17-39-31(44)25-16-27-23(22-5-8-37-30-24(22)6-9-38-30)7-10-43(27)29(20(25)2)21(3)42-13-11-41(12-14-42)18-33(34,35)36/h5,7-8,10,15-16,21,26H,6,9,11-14,17-18H2,1-4H3,(H,37,38)(H,39,44)/t21-,26?/m0/s1
• InChIKey: FMOGFLSDOUNLIU-GVNKFJBHSA-N
• XLogP: 4.40
• TPSA: 103.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.71
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907638) is 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccnc4c3CCN4)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C.

What is the InChIKey of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The InChIKey is FMOGFLSDOUNLIU-GVNKFJBHSA-N. The full InChI is InChI=1S/C33H38F3N7O3/c1-19-15-28(46-4)26(32(45)40-19)17-39-31(44)25-16-27-23(22-5-8-37-30-24(22)6-9-38-30)7-10-43(27)29(20(25)2)21(3)42-13-11-41(12-14-42)18-33(34,35)36/h5,7-8,10,15-16,21,26H,6,9,11-14,17-18H2,1-4H3,(H,37,38)(H,39,44)/t21-,26?/m0/s1.

What are the key properties of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 637.71 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156907638 — identifiers, structure, computed properties (public domain)

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