N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C26H31F3N6O2 — CID 72959168

IUPACN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC
InChIInChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33)
InChIKeyCEXLOBRTPRCCRS-UHFFFAOYSA-N
MW516.57 g/mol
LogP4.79
Rot. Bonds9

About N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 72959168) has the molecular formula C26H31F3N6O2 and a molecular weight of 516.57 g/mol. Its IUPAC name is N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID72959168
Molecular FormulaC26H31F3N6O2
Molecular Weight516.57 g/mol
Exact Mass516.25
IUPAC NameN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC
InChIInChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33)
InChIKeyCEXLOBRTPRCCRS-UHFFFAOYSA-N
XLogP4.79
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Gdc-0134
CID 86298636
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 164536645
Ly-2880070
CID 56968075
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486497
3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
CID 9980466

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 72959168) is N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is CCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC.
What is the InChIKey of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is CEXLOBRTPRCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O2/c1-5-17-23(16-11-12-22(36-4)34-24(16)26(27,28)29)31-18(6-2)25(32-17)33-19-14-35(15-20(19)37-7-3)21-10-8-9-13-30-21/h8-13,19-20H,5-7,14-15H2,1-4H3,(H,32,33).
What are the key properties of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 516.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 72959168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).