3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide

C34H45F3N6O3 — CID 142754860

About 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide

3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide (PubChem CID 142754860) has the molecular formula C34H45F3N6O3 and a molecular weight of 642.77 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide
• PubChem CID: 142754860
• Molecular Formula: C34H45F3N6O3
• Molecular Weight: 642.77 g/mol
• Exact Mass: 642.35
• IUPAC Name: 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C2=CNCC2)c2ccc(C)c(C(C)N3CCN(CC(F)(F)F)CC3)n2c1C(C)(C)C
• InChI: InChI=1S/C34H45F3N6O3/c1-20-8-9-25-27(23-10-11-38-17-23)28(32(45)39-18-24-26(46-7)16-21(2)40-31(24)44)30(33(4,5)6)43(25)29(20)22(3)42-14-12-41(13-15-42)19-34(35,36)37/h8-9,16-17,22,38H,10-15,18-19H2,1-7H3,(H,39,45)(H,40,44)
• InChIKey: MIGJYRQMKSGNQV-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 94.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.77
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide (CID 142754860) is 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide.

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

The canonical SMILES for 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C2=CNCC2)c2ccc(C)c(C(C)N3CCN(CC(F)(F)F)CC3)n2c1C(C)(C)C.

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

The InChIKey is MIGJYRQMKSGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F3N6O3/c1-20-8-9-25-27(23-10-11-38-17-23)28(32(45)39-18-24-26(46-7)16-21(2)40-31(24)44)30(33(4,5)6)43(25)29(20)22(3)42-14-12-41(13-15-42)19-34(35,36)37/h8-9,16-17,22,38H,10-15,18-19H2,1-7H3,(H,39,45)(H,40,44).

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

3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide has a molecular weight of 642.77 g/mol, XLogP of 5.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-(2,3-dihydro-1H-pyrrol-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-2-carboxamide is sourced from PubChem (CID 142754860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).