ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate

C23H28F3N5O2 — CID 134340883

IUPACethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(N(C)C2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C23H28F3N5O2/c1-4-33-22(32)18-13-20-17(19-5-9-27-28-19)8-12-31(20)21(15(18)2)29(3)16-6-10-30(11-7-16)14-23(24,25)26/h5,8-9,12-13,16H,4,6-7,10-11,14H2,1-3H3,(H,27,28)
InChIKeyKBZWYQXLOZULOF-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.28
Rot. Bonds6

About ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate

ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate (PubChem CID 134340883) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate
PubChem CID134340883
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Nameethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(N(C)C2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C23H28F3N5O2/c1-4-33-22(32)18-13-20-17(19-5-9-27-28-19)8-12-31(20)21(15(18)2)29(3)16-6-10-30(11-7-16)14-23(24,25)26/h5,8-9,12-13,16H,4,6-7,10-11,14H2,1-3H3,(H,27,28)
InChIKeyKBZWYQXLOZULOF-UHFFFAOYSA-N
XLogP4.28
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 89928029
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CID 2997652
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CID 3537430
CID 3537430
CID 3416576
CID 3416576
CID 56871622
CID 56871622
CID 24866801
CID 24866801
CID 60006803
CID 60006803
CID 68974696
CID 68974696
CID 68974980
CID 68974980

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate (CID 134340883) is ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate is CCOC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(N(C)C2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate?
The InChIKey is KBZWYQXLOZULOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-4-33-22(32)18-13-20-17(19-5-9-27-28-19)8-12-31(20)21(15(18)2)29(3)16-6-10-30(11-7-16)14-23(24,25)26/h5,8-9,12-13,16H,4,6-7,10-11,14H2,1-3H3,(H,27,28).
What are the key properties of ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate?
ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate has a molecular weight of 463.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate is sourced from PubChem (CID 134340883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).