6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid

C24H28F3N5O2 — CID 134340710

IUPAC6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
SMILESCNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)O)cc23)cn1
InChIInChI=1S/C24H28F3N5O2/c1-15-19(23(33)34)12-20-18(17-4-5-21(28-3)29-13-17)6-7-32(20)22(15)16(2)31-10-8-30(9-11-31)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,28,29)(H,33,34)
InChIKeySWXJFZYQIJANSG-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.29
Rot. Bonds6

About 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid

6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid (PubChem CID 134340710) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
PubChem CID134340710
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
SMILESCNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)O)cc23)cn1
InChIInChI=1S/C24H28F3N5O2/c1-15-19(23(33)34)12-20-18(17-4-5-21(28-3)29-13-17)6-7-32(20)22(15)16(2)31-10-8-30(9-11-31)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,28,29)(H,33,34)
InChIKeySWXJFZYQIJANSG-UHFFFAOYSA-N
XLogP4.29
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzoic acid
CID 76901415
4-(3-Ethynylanilino)-2-pyridin-3-ylpyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71739433
2-[3-Fluoro-7-[(5-fluoropyrimidin-2-yl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 66570861
4-[[(1R)-1-cyclobutylethyl]amino]-2-(4-propan-2-ylpyridin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90235975
US10273222, Example 75
CID 90407311
3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carboxylic acid
CID 142751803
4-[[4-Methyl-1-[(6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463515
4-[(6-Phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid
CID 134298594
2-{2-[(Pyridin-3-Ylmethyl)amino]pyrimidin-4-Yl}pyridine-4-Carboxylic Acid
CID 56867110
4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid
CID 400212
2-[2-(3-Oxo-2,8-diazaspiro[4.5]dec-8-yl)pyrimidin-4-yl]isonicotinic acid
CID 70722822
3-(4-(Cyclopropylmethyl)piperazin-1-yl)indolizine-6-carboxylic acid
CID 118739671

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid (CID 134340710) is 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid is CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)O)cc23)cn1.
What is the InChIKey of 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid?
The InChIKey is SWXJFZYQIJANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-15-19(23(33)34)12-20-18(17-4-5-21(28-3)29-13-17)6-7-32(20)22(15)16(2)31-10-8-30(9-11-31)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,28,29)(H,33,34).
What are the key properties of 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid?
6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid has a molecular weight of 475.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid is sourced from PubChem (CID 134340710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).